930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:2:1:	3:3:3:	3:3:	C[6a]-3:P-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP)	P(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP){1|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]H)	128.5480	0.000	1	128.5480	0.000	1	128.5480	0.000	1	126.4828	27.742	6	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:2:1:	3:3:3:	3:3:	C[6a]-3:P-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHP)	P(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]H)	122.4280	0.000	1	122.4280	0.000	1	126.0698	33.398	5	126.4828	27.742	6	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:2:1:	3:3:3:	3:3:	C[6a]-3:P-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHP)	P(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]H)	126.9802	6.245	4	126.9802	39.004	4	126.0698	33.398	5	126.4828	27.742	6	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:2:2:	3:3:3:	3:3:	C[6a]-3:P-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(CC)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a])(CC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]C)	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	125.4173	58.277	3	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:2:2:	3:3:3:	3:3:	C[6a]-3:P-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(OP)	C[6a](C[6a]C[6a]H)2(COP)	P(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(PC[6a])(OP)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]O)	134.2320	0.000	1	134.2320	0.000	1	127.6480	86.698	2	125.4173	58.277	3	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:2:2:	3:3:3:	3:3:	C[6a]-3:P-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(OSi)	C[6a](C[6a]C[6a]H)2(COP)	P(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(PC[6a])(OSi)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]O)	121.0640	0.000	1	121.0640	0.000	1	127.6480	86.698	2	125.4173	58.277	3	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC[6a]2)	125.3580	0.000	1	125.3580	0.000	1	125.3580	0.000	1	125.3580	0.000	1	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(CC[5]P)	P(C[5]C[5,6]N[5])(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	P(C[5]C[5,6]N[5])(CC[6a]C[5])	124.3230	6.872	2	124.3230	47.220	2	123.3005	19.381	4	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(CC[5]P)	P(C[5]C[5]N[5])(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	P(C[5]C[5]N[5])(CC[6a]C[5])	122.2780	2.596	2	122.2780	6.742	2	123.3005	19.381	4	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]2)	125.4780	0.000	1	125.4780	0.000	1	121.1733	37.585	3	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]P){1|H<1>,4|C<3>}	P(C[6a]C[6a]2)(CC[6a]2)	123.8880	0.000	1	123.8880	0.000	1	121.1733	37.585	3	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]2)	114.1540	0.000	1	114.1540	0.000	1	121.1733	37.585	3	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]2)	121.4150	6.775	3	121.4150	45.905	3	121.4645	37.736	16	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]2)	121.2284	6.676	11	121.6521	42.670	12	121.4645	37.736	16	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC[6a]2)	126.3130	0.000	1	121.6521	42.670	12	121.4645	37.736	16	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]2)	119.3620	0.000	1	119.3620	0.000	1	121.4645	37.736	16	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	C[6a](C[6a]C[6a]H)2(CNP)	P(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]N)	116.0705	0.395	2	116.0705	0.156	2	116.0705	0.156	2	121.2918	32.112	25	122.4155	36.019	36	122.4155	36.019	36
930	643	940	0:SP2_SP-NON_SP2	C	C[6a]	P	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]P)	P(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]C[5])	114.1570	0.000	1	114.1570	0.000	1	114.1570	0.000	1	114.1570	0.000	1	122.4155	36.019	36	122.4155	36.019	36
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	2:3:1:	3:3:3:	5:3:	N-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x3,4,3x5,14x6]-5:C-3:	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]H)	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]H)	121.3610	0.743	4	121.3610	0.552	4	121.3610	0.552	4	121.3610	0.552	4	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:2:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC)	121.1707	1.692	6	121.1707	2.861	6	121.1707	2.861	6	121.1707	2.861	6	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC[6a]H)	120.0090	0.000	1	120.0090	0.000	1	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	N(CC[6a]H)(NCH)	121.3590	0.000	1	120.7607	1.402	3	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NCH)	120.4615	1.505	2	120.7607	1.402	3	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NCP)	117.9325	1.085	8	117.9325	1.177	8	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC[5a]H)	129.9050	0.000	1	129.9050	0.000	1	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC[6a]H)	120.0330	0.000	1	120.0330	0.000	1	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N(CC[6a]H)(NC[6a]H)	121.1070	0.000	1	121.1070	0.000	1	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N(CC[6a]H)(NHH)	121.4120	0.000	1	121.4120	0.000	1	119.8880	9.873	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	124.0270	0.000	1	124.0270	0.000	1	121.5555	0.816	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0045	0.128	4	121.4166	0.430	14	121.5555	0.816	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0630	0.634	2	121.4166	0.430	14	121.5555	0.816	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	120.9610	0.424	8	121.4166	0.430	14	121.5555	0.816	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.0290	0.000	1	121.0290	0.000	1	121.5555	0.816	16	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	120.0240	0.000	1	120.0240	0.000	1	120.0240	0.000	1	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	112.4040	0.000	1	112.4425	0.003	2	112.4425	0.003	2	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	112.4810	0.000	1	112.4425	0.003	2	112.4425	0.003	2	120.2509	8.922	36	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:4:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCHH)	121.9050	0.000	1	121.9050	0.000	1	121.8850	0.133	4	121.8850	0.133	4	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	3:4:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N(CC[6a]H)(CCHH)	121.8783	0.446	3	121.8783	0.199	3	121.8850	0.133	4	121.8850	0.133	4	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	4:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]3)(CC[6a]H)	120.3840	1.294	2	120.3840	1.674	2	120.3840	1.674	2	121.0132	0.957	5	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	2:3:3:	4:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	121.4327	0.645	3	121.4327	0.416	3	121.4327	0.416	3	121.0132	0.957	5	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:1:	C[6a]-3:N-2:H-1:	C[6a]-3:O[6a]-2:C-3:	C-3:N-1:	C(C[6a]C[6a]O[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHN)	N(CC[6a]H)(N)	C(C[6a]C[6a]O[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHN){1|C<3>,1|O<1>,1|O<2>}	N(CC[6a]H)(N)	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	116.2420	4.629	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)	115.4840	0.000	1	115.4840	0.000	1	115.0280	0.416	2	116.2420	4.629	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)	114.5720	0.000	1	114.5720	0.000	1	115.0280	0.416	2	116.2420	4.629	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	120.9843	0.712	15	121.0666	0.561	17	121.0666	0.561	17	120.1448	4.535	22	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC)	121.6835	1.016	2	121.0666	0.561	17	121.0666	0.561	17	120.1448	4.535	22	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	N(CC[6a]H)(OH)	118.4040	0.663	2	118.4040	0.440	2	118.7030	0.488	3	120.1448	4.535	22	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(OH)	119.3010	0.000	1	119.3010	0.000	1	118.7030	0.488	3	120.1448	4.535	22	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NC)	114.4720	0.474	2	114.4720	0.224	2	114.4720	0.224	2	120.1448	4.535	22	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN)	N(C[6a]C[6a]2)(CC[6a]Cl)	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]Cl)	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	119.8330	0.000	1	119.8330	0.000	1	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	119.4980	0.243	2	119.4980	0.059	2	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NCH)	119.0010	0.000	1	122.4621	17.665	60	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	122.1219	3.917	51	122.4621	17.665	60	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NCH)	125.5675	7.142	2	122.4621	17.665	60	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	N(CC[6a]H)(NCH)	124.8957	5.502	6	122.4621	17.665	60	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6]C)	117.1640	0.000	1	117.6057	0.705	3	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|N<2>,2|C<3>}	N(CC[6a]H)(NC[6]C)	117.8265	1.057	2	117.6057	0.705	3	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6a]C)	119.6560	1.157	2	119.5375	1.872	4	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	120.8720	0.000	1	119.5375	1.872	4	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC[6a]C)	117.9660	0.000	1	119.5375	1.872	4	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	119.6710	0.000	1	120.8581	1.512	11	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	119.8540	1.035	2	120.8581	1.512	11	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	121.2575	1.155	8	120.8581	1.512	11	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NReC)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NReC)	118.9150	0.000	1	118.9150	0.000	1	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NRuC)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NRuC)	120.0490	0.711	2	120.0490	0.506	2	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	123.8140	0.810	2	123.8140	0.657	2	121.7861	14.258	86	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	118.8240	0.454	2	118.8240	0.206	2	120.2427	6.141	3	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	123.0800	0.000	1	123.0800	0.000	1	120.2427	6.141	3	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	123.5880	0.000	1	123.5880	0.000	1	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.6095	0.565	2	122.0188	0.616	31	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.0820	0.000	1	122.0188	0.616	31	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	122.5835	0.526	4	122.0188	0.616	31	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9970	0.814	15	122.0188	0.616	31	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7770	0.773	9	122.0188	0.616	31	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.5280	0.735	2	120.5280	0.541	2	121.9773	0.784	34	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]N[6a])(NN[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NN[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	119.9800	0.000	1	119.9800	0.000	1	117.5203	6.047	3	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)2	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2	117.5190	0.000	1	117.5190	0.000	1	117.5203	6.047	3	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	N(CC[6a]O)(CNN)	115.0620	0.000	1	115.0620	0.000	1	117.5203	6.047	3	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NPdC)	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NPdC)	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	115.5240	0.000	1	115.5240	0.000	1	115.4850	0.003	2	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)	115.4460	0.000	1	115.4460	0.000	1	115.4850	0.003	2	121.4331	12.003	133	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	122.3047	0.426	3	122.4144	0.592	7	122.4144	0.592	7	117.6475	12.839	21	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCHH)	122.4968	1.021	4	122.4144	0.592	7	122.4144	0.592	7	117.6475	12.839	21	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CC3)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)	114.0440	0.000	1	114.0440	0.000	1	115.2641	1.126	14	117.6475	12.839	21	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)	115.3579	1.042	13	115.3579	1.086	13	115.2641	1.126	14	117.6475	12.839	21	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]H)	121.6460	0.000	1	121.6460	0.000	1	120.3484	3.721	5	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]H)	118.2660	0.416	2	118.2660	0.173	2	120.3484	3.721	5	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	121.7820	0.494	2	121.7820	0.244	2	120.3484	3.721	5	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[5]C[5]2Fe)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]H)	121.1535	0.120	2	121.9458	0.844	4	121.7249	0.360	10	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[5]C[5]2Fe)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(C[5]C[5]2Fe)(CC[6a]H)	122.7380	0.081	2	121.9458	0.844	4	121.7249	0.360	10	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[5]C[5]2H)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(C[5]C[5]2H)(CC[6a]H)	121.5777	0.277	6	121.5777	0.077	6	121.7249	0.360	10	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.7660	0.000	1	121.7660	0.000	1	121.5423	0.767	15	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]H)	122.3770	0.000	1	121.5264	0.822	14	121.5423	0.767	15	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.6806	0.513	5	121.5264	0.822	14	121.5423	0.767	15	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	121.3236	1.100	8	121.5264	0.822	14	121.5423	0.767	15	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]N[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){1|H<1>,4|C<3>}	N(CC[6a]HH)(CC[6a]O)	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[5]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[5]HH)(CC[6a]O)	114.5870	0.000	1	114.5870	0.000	1	115.4681	0.955	7	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)	115.7542	1.030	5	115.7542	1.061	5	115.4681	0.955	7	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:2:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)	114.9190	0.000	1	114.9190	0.000	1	115.4681	0.955	7	120.1236	7.470	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)	117.6630	0.000	1	117.6630	0.000	1	118.2588	0.882	10	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)	120.4390	0.000	1	120.4390	0.000	1	118.2588	0.882	10	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)	117.7355	0.028	2	117.7355	0.001	2	118.2588	0.882	10	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(H)	118.1025	1.027	2	118.1692	0.447	6	118.2588	0.882	10	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)	119.0560	0.000	1	118.1692	0.447	6	118.2588	0.882	10	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(H)	117.9180	0.311	3	118.1692	0.447	6	118.2588	0.882	10	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(N)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(N)	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:1:	C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)	C(C[6a]C[6a]2)(NH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	118.0201	1.054	12	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	N(CC[6a]Cl)(NC)	C(C[6a]C[6a]2)(NN)(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	N(CC[6a]Cl)(NC)	121.0785	0.404	2	121.0785	0.163	2	121.0785	0.163	2	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	N(CC[6a]Cl)(OC)	C(C[6a]C[6a]2)(NO)(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	N(CC[6a]Cl)(OC)	120.2980	0.000	1	120.2980	0.000	1	120.2565	0.003	2	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	N(CC[6a]Cl)(OH)	C(C[6a]C[6a]2)(NO)(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	N(CC[6a]Cl)(OH)	120.2150	0.000	1	120.2150	0.000	1	120.2565	0.003	2	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|O<2>,3|C<3>}	N(CC[6a]H)(OC)	119.6510	0.000	1	119.2980	0.249	2	119.2980	0.249	2	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]H)(OC)	118.9450	0.000	1	119.2980	0.249	2	119.2980	0.249	2	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(NC)	125.9117	3.202	6	125.9117	10.252	6	125.6170	9.151	7	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(NC[6])	123.8490	0.000	1	123.8490	0.000	1	125.6170	9.151	7	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]2)(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a,6a]2)(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(OH)	121.5110	0.000	1	121.5110	0.000	1	121.5110	0.000	1	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]H)(NC)	123.9660	0.000	1	125.3355	3.751	2	122.2707	3.078	11	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NC)	126.7050	0.000	1	125.3355	3.751	2	122.2707	3.078	11	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]H)(NC[6])	121.1900	0.000	1	121.1900	0.000	1	122.2707	3.078	11	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NC)	121.4807	0.642	7	121.4807	0.412	7	122.2707	3.078	11	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NC[5])	122.7520	0.000	1	122.7520	0.000	1	122.2707	3.078	11	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CHN){1|H<1>,4|C<3>}	N(CC[6a]H)(OH)	121.1910	0.000	1	121.1910	0.000	1	121.9162	6.696	14	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(OC)	126.3530	0.000	1	126.3530	0.000	1	121.9162	6.696	14	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]H)(OH)	119.6333	0.583	4	120.3907	1.332	7	121.9162	6.696	14	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(OH)	121.4007	0.900	3	120.3907	1.332	7	121.9162	6.696	14	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(OC)	120.5330	0.000	1	120.5330	0.000	1	121.9162	6.696	14	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(OH)	124.0037	2.782	4	124.0037	7.738	4	121.9162	6.696	14	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[5])	122.5510	0.000	1	122.5510	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	120.5640	0.000	1	120.5640	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a])	118.9470	0.000	1	118.9470	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	121.4430	0.000	1	121.4430	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6])	120.9980	0.000	1	120.9980	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC)	122.2910	0.000	1	122.2910	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	121.3345	0.888	4	121.3345	0.789	4	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5])	121.2980	0.000	1	121.2980	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	123.9573	2.173	3	123.9573	4.720	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(CC[6a]H)(NC)	121.8960	0.000	1	121.8960	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	120.9870	0.412	3	120.9870	0.170	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	119.2740	0.564	3	119.2740	0.318	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC)	121.0580	0.936	2	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC)	121.8710	0.106	3	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|S<2>}	N(CC[6a]H)(NC)	121.6210	0.000	1	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC)	121.7164	0.901	20	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(NC)	122.0940	0.000	1	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	121.7521	0.652	32	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC)	119.9720	0.049	3	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]H)(NC)	119.2910	0.000	1	121.6039	0.723	63	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[5])	120.6060	0.000	1	122.5740	3.556	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[5])	124.3650	0.000	1	122.5740	3.556	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5])	122.7510	0.000	1	122.5740	3.556	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6])	121.9663	1.304	3	121.9663	1.700	3	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	121.7010	0.000	1	121.7010	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	121.2680	1.231	4	121.2680	1.516	4	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]H)(NC)	121.2840	0.440	4	121.2840	0.194	4	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC)	122.7975	0.042	2	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(NC)	120.2340	0.000	1	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|I<1>}	N(CC[6a]H)(NC)	121.7110	0.000	1	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]H)(NC)	121.0160	0.000	1	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC)	121.7612	0.794	6	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC)	122.8831	0.920	8	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	122.4809	2.108	47	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(NC)	123.0115	0.013	2	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC)	122.6730	0.000	1	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(CC[6a]H)(NC)	121.0552	1.143	30	122.0115	3.096	99	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[5])	121.4425	1.896	2	121.7503	0.817	6	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5])	121.7837	0.128	3	121.7503	0.817	6	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(NC[5])	122.2660	0.000	1	121.7503	0.817	6	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6])	121.5190	0.000	1	121.8651	1.351	30	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6])	122.6510	0.676	2	121.8651	1.351	30	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(NC[6])	122.1030	0.000	1	121.8651	1.351	30	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC[6])	121.6625	1.972	2	121.8651	1.351	30	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[6])	121.2373	0.211	4	121.8651	1.351	30	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6])	121.9378	1.288	20	121.8651	1.351	30	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a])	119.3590	0.000	1	119.3590	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NMo)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NMo)	122.0035	0.392	2	122.0035	0.154	2	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC)	118.7540	0.000	1	118.7540	0.000	1	121.7743	2.084	238	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHN){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]H)(OC)	121.2250	0.000	1	121.2250	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(OH)	120.9380	0.701	2	120.9380	0.492	2	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(OC)	120.3090	0.000	1	120.3090	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(OH)	121.7925	0.062	2	121.7925	0.004	2	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	125.5105	1.213	2	125.5105	1.471	2	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(OC)	119.1240	0.000	1	119.1240	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OH)	120.4285	0.715	2	120.4160	0.256	3	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OH)	120.3910	0.000	1	120.4160	0.256	3	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OH)	120.4910	0.000	1	120.4910	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(OH)	121.6800	0.000	1	121.6800	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	123.4520	0.000	1	123.4520	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	119.7140	1.610	4	119.7140	2.592	4	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OH)	121.1215	0.711	2	121.1215	0.505	2	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OH)	121.3815	0.115	2	121.3815	0.013	2	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(CC[6a]H)(OH)	121.4821	0.674	15	121.4821	0.454	15	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	118.1530	0.000	1	118.1530	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(OC)	121.2100	0.000	1	120.9567	1.226	27	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OC)	120.6886	1.085	11	120.9567	1.226	27	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	121.1279	1.336	11	120.9567	1.226	27	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(CC[6a]H)(OC)	121.1600	0.552	4	120.9567	1.226	27	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	N(CC[6a]H)(OH)	120.5130	0.607	4	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(OH)	119.9210	0.000	1	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(OH)	121.3366	0.950	18	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	N(CC[6a]H)(OH)	121.3310	0.106	2	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	N(CC[6a]H)(OH)	120.7980	0.000	1	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(OH)	117.7615	2.340	2	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OH)	120.6457	1.419	18	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(OH)	121.1685	0.431	2	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OH)	121.5510	1.265	22	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	N(CC[6a]H)(OH)	120.5768	0.773	4	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(OH)	120.1223	0.232	7	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(OH)	121.6540	0.000	1	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]H)(OH)	122.2890	0.000	1	120.9663	1.641	83	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OSb)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OSb)	121.1530	0.000	1	121.1530	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<4>,2|C<3>}	N(CC[6a]H)(OH)	120.6370	1.157	6	120.6370	1.340	6	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]H)(OH)	121.2470	0.000	1	121.2470	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(OC)	120.8330	0.000	1	120.9444	1.672	21	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(OC)	120.9540	1.813	2	120.9444	1.672	21	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OC)	122.1763	1.074	3	120.9444	1.672	21	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	120.7042	1.265	15	120.9444	1.672	21	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC[6a])	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(OC[6a])	123.5670	0.000	1	121.9655	1.598	4	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC[6a])	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OC[6a])	120.9805	0.390	2	121.9655	1.598	4	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OC[6a])	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC[6a])	122.3340	0.000	1	121.9655	1.598	4	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(OH)	122.6850	0.000	1	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(OH)	122.2644	0.628	9	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OH)	121.4681	1.381	7	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(OH)	122.7650	0.000	1	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(OH)	122.3852	1.621	5	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(CC[6a]H)(OH)	119.5280	1.146	2	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	N(CC[6a]H)(OH)	121.7407	1.387	3	121.8683	1.727	28	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]H)(OH)	119.4920	0.000	1	119.4920	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC)	125.1770	0.000	1	121.6428	5.562	4	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]H)(OC)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN){3|C<3>}	N(CC[6a]H)(OC)	120.4647	0.126	3	121.6428	5.562	4	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]H)(OC[5])	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC[5])	122.4230	0.000	1	122.4230	0.000	1	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]H)(OC[6])	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(OC[6])	125.2737	0.700	3	125.2737	0.490	3	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(OH)	122.9370	0.000	1	122.5903	0.177	3	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(OH)	122.7110	0.000	1	122.5903	0.177	3	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	N(CC[6a]H)(OH)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>}	N(CC[6a]H)(OH)	122.1230	0.000	1	122.5903	0.177	3	121.2279	2.028	222	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)	117.1320	0.590	2	117.1320	0.348	2	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)	116.7557	2.036	3	117.2726	3.539	5	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC)	118.0480	1.966	2	117.2726	3.539	5	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[4])	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[4])	115.4280	0.000	1	115.4280	0.000	1	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a])	112.8040	0.000	1	112.8040	0.000	1	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NH)	116.2510	0.000	1	116.2510	0.000	1	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NRe)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NRe)	112.7862	1.276	4	112.7862	1.629	4	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NS)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NS)	116.2400	0.000	1	116.2400	0.000	1	115.4997	5.591	15	121.4032	3.711	514	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	N(C[5a]C[5a]O[5a])(CC[6a]Cl)	C(C[6a]C[6a]2)(NC[5a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(CC[6a]Cl)	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN)	N(C[6a]C[6a]2)(CC[6a]Cl)	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]Cl)	121.4990	0.000	1	121.4990	0.000	1	121.7190	0.097	2	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	N(C[6a]C[6a]2)(CC[6a]Cl)	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]Cl)	121.9390	0.000	1	121.9390	0.000	1	121.7190	0.097	2	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	123.5050	1.065	3	123.5050	1.135	3	122.1027	4.859	6	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	119.4120	0.515	2	119.4120	0.265	2	122.1027	4.859	6	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	N(CC[6a]H)(NC[6a]H)	123.2770	0.000	1	123.2770	0.000	1	122.1027	4.859	6	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	121.0995	0.319	2	121.0995	0.102	2	121.7926	0.678	5	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.2720	1.003	2	122.2720	1.005	2	121.7926	0.678	5	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.2200	0.000	1	122.2200	0.000	1	121.7926	0.678	5	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	121.8280	1.815	6	121.8280	3.292	6	121.8911	3.959	10	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN){2|C<3>,2|C<4>}	N(CC[6a]H)(NC[6a]H)	123.2005	2.971	2	123.2005	8.824	2	121.8911	3.959	10	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	N(CC[6a]H)(NCH)	120.7710	2.093	2	120.7710	4.381	2	121.8911	3.959	10	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN){1|Ga<4>,1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(NCH)	124.5698	2.940	12	124.5698	8.643	12	124.4183	7.491	14	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(NHH)	123.9460	0.000	1	123.9460	0.000	1	124.4183	7.491	14	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(NHS)	123.0720	0.000	1	123.0720	0.000	1	124.4183	7.491	14	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	123.2250	0.000	1	123.2250	0.000	1	124.3330	1.026	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	124.5620	0.000	1	124.5620	0.000	1	124.3330	1.026	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	125.2120	0.000	1	125.2120	0.000	1	124.3330	1.026	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CHN){1|H<1>,1|N<2>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.1780	0.000	1	125.1780	0.000	1	123.0009	3.612	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7288	1.835	8	122.7288	3.367	8	123.0009	3.612	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]2)(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a,6a]2)(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(N[5]C[5]2)(CC[6a]H)	124.0310	0.000	1	124.0310	0.000	1	124.0310	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CCC)	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	121.1370	0.957	2	121.1370	0.917	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NC[6a]H)	122.3830	0.185	2	122.3830	0.034	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	120.6553	1.545	6	120.6553	2.387	6	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6]Ru)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NC[6]Ru)	119.3270	0.000	1	119.3270	0.000	1	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	119.1185	0.042	2	119.1185	0.002	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|H<1>,3|C<3>}	N(CC[6a]H)(NHS)	119.3330	0.000	1	120.1210	1.242	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NHS)	120.9090	0.000	1	120.1210	1.242	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCC)	120.3250	0.000	1	120.3250	0.000	1	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	121.6726	2.079	52	121.6726	4.323	52	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NHS)	121.0760	0.000	1	121.0760	0.000	1	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NRuC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NRuC)	122.0160	0.861	2	122.0160	0.742	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	N(CC[6a]H)(NCH)	120.3370	0.676	2	120.3370	0.457	2	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	N(CC[6a]H)(NHH)	122.1320	0.000	1	122.1320	0.000	1	121.4053	3.669	74	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	124.7740	0.000	1	124.7740	0.000	1	122.2836	1.381	13	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	120.9320	1.158	2	120.9320	1.342	2	122.2836	1.381	13	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	120.5370	0.000	1	120.5370	0.000	1	122.2836	1.381	13	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	122.4485	0.168	4	122.4485	0.028	4	122.2836	1.381	13	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	122.5436	0.669	5	122.5436	0.448	5	122.2836	1.381	13	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.2317	0.520	3	121.2317	0.270	3	122.6526	2.170	53	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2630	0.000	1	124.8503	5.499	4	122.6526	2.170	53	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.3793	2.563	3	124.8503	5.499	4	122.6526	2.170	53	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	126.5390	0.000	1	126.5390	0.000	1	122.6526	2.170	53	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4656	1.105	45	122.4656	1.222	45	122.6526	2.170	53	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	120.6470	0.000	1	120.6470	0.000	1	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(N[5]C[5]2)(CC[6a]H)	119.8485	0.523	2	119.8485	0.273	2	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	119.1030	0.000	1	119.1030	0.000	1	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(N[5]C[5]2)(CC[6a]H)	120.6188	0.488	4	120.6188	0.239	4	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	120.4940	0.000	1	120.4940	0.000	1	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(N[5]C[5]2)(CC[6a]H)	120.0347	1.169	9	120.0347	1.368	9	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	120.3990	0.000	1	120.3990	0.000	1	120.1646	0.813	19	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(N[5a]C[5a]2)(CC[6a]H)	120.6680	0.000	1	120.6680	0.000	1	120.2427	2.812	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(N[5a]C[5a]2)(CC[6a]H)	120.0300	2.314	2	120.0300	5.353	2	120.2427	2.812	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(N[6]B[6]C[6])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(N[6]B[6]C[6])(CC[6a]H)	118.4300	0.000	1	118.4300	0.000	1	118.4300	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(CCC)	122.8590	0.000	1	122.4215	1.076	20	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CCC)	121.4250	0.000	1	122.4215	1.076	20	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCC)	122.4526	1.064	18	122.4215	1.076	20	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCN)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCN)	129.3060	0.000	1	129.3060	0.000	1	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]2)(CC[6a]H)	120.8005	0.187	2	120.8005	0.035	2	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCC)	122.3750	0.454	12	122.3750	0.206	12	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCN)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCN)	123.0210	0.000	1	123.0210	0.000	1	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCO)	116.1860	0.000	1	116.1860	0.000	1	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CNO)	128.3840	0.000	1	128.3840	0.000	1	122.5113	4.052	38	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCH)	121.6994	1.052	7	121.6994	1.107	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[5a]H)	122.2980	0.000	1	122.2980	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[6a]H)	129.4970	0.000	1	129.4970	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NHS)	122.3740	0.762	2	122.3740	0.581	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6]Ru)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC[6]Ru)	120.3840	0.000	1	120.3840	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NSnC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NSnC)	122.0055	0.954	2	122.0055	0.910	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	N(CC[6a]H)(NC[6a]H)	118.9430	0.550	2	118.9430	0.303	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	N(CC[6a]H)(NHH)	120.4330	0.000	1	120.4330	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NCH)	121.2615	0.940	2	121.2615	0.883	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN){2|C<3>}	N(CC[6a]H)(NCH)	121.0050	0.672	4	121.0050	0.452	4	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	N(CC[6a]H)(NCH)	120.3301	1.685	7	120.3301	2.841	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	N(CC[6a]H)(NCP)	120.9085	0.213	2	120.9085	0.045	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CHN){2|C<3>}	N(CC[6a]H)(NCH)	120.4980	0.000	1	120.4980	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(CHN)	N(CC[6a]H)(NCuC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(NCuC)	120.9535	0.634	2	120.9535	0.402	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	N(CC[6a]H)(NCC)	119.5160	0.000	1	119.5160	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	N(CC[6a]H)(NCH)	119.3530	0.375	2	119.3530	0.140	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])2(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])2(CHN){1|C<3>,2|H<1>,4|O<2>}	N(CC[6a]H)(NCC)	119.5300	0.000	1	119.5300	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	N(CC[6a]H)(NCC)	119.4250	0.000	1	119.4250	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCH)	120.5325	1.201	2	120.0391	0.471	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	119.8418	0.418	5	120.0391	0.471	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	118.9890	0.000	1	118.9890	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.0395	1.281	11	120.0395	1.641	11	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	119.4690	1.123	3	119.4690	1.262	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	122.5265	0.858	2	121.6410	2.720	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.8700	0.000	1	121.6410	2.720	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHS)	122.4025	1.269	2	122.4025	1.611	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.6930	0.000	1	119.0333	2.904	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	N(CC[6a]H)(NCH)	118.2035	1.295	2	119.0333	2.904	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.4210	0.000	1	120.4210	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCC)	119.7570	0.537	2	119.7570	0.289	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NCH)	119.8376	0.894	8	120.0084	0.828	73	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.0614	0.912	63	120.0084	0.828	73	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	119.0225	0.392	2	120.0084	0.828	73	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5a]H)	120.1700	0.313	3	120.1700	0.098	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6]H)	118.2930	0.000	1	118.2930	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[6a]H)	119.7965	0.561	2	119.5469	0.967	8	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.4637	1.121	6	119.5469	0.967	8	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHS)	119.2170	0.000	1	119.2170	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCC)	122.4050	0.000	1	122.4050	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	121.2056	2.255	5	121.2056	5.086	5	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	123.7490	0.000	1	123.7490	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(NCoC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCoC)	126.1515	2.265	2	126.1515	5.130	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(NCH)	120.2557	1.427	3	120.2381	1.080	14	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.3709	0.936	10	120.2381	1.080	14	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	118.8580	0.000	1	120.2381	1.080	14	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5a]H)	119.6960	0.000	1	119.6960	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.6615	1.621	2	119.6615	2.629	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(CC[6a]H)(NCH)	119.9545	2.329	2	120.5963	3.947	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	121.8800	0.000	1	120.5963	3.947	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(CC[6a]H)(NP[6]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(CC[6a]H)(NP[6]C)	119.9815	1.066	4	119.9815	1.135	4	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	120.8210	0.000	1	120.8210	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCC)	117.8330	0.098	2	117.8330	0.010	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCH)	118.9307	1.211	10	118.6409	1.543	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	118.5769	1.232	17	118.6409	1.543	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	116.8300	0.000	1	118.6409	1.543	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NC[6a]2)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]2)	116.8430	0.301	3	116.8430	0.090	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	118.6136	0.395	5	118.6136	0.156	5	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHH)	119.1363	0.235	3	119.1363	0.055	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHS)	118.8210	0.000	1	118.8210	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCC)	121.2210	0.153	2	121.2210	0.023	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	120.9701	1.149	30	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	N(CC[6a]H)(NCH)	121.7785	0.405	4	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(CC[6a]H)(NCH)	119.5976	1.254	14	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NCH)	121.0092	1.059	8	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(NCH)	120.1330	0.550	2	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	N(CC[6a]H)(NCH)	120.5065	0.501	2	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NCH)	120.1420	0.993	5	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCH)	120.9417	1.168	83	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	N(CC[6a]H)(NCH)	120.1545	0.284	2	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(NCH)	120.4555	1.278	4	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|F<1>}	N(CC[6a]H)(NCH)	119.4900	0.000	1	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.9772	1.165	173	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	N(CC[6a]H)(NCH)	119.6533	0.918	19	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	120.6144	1.383	38	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|O<2>}	N(CC[6a]H)(NCH)	120.0190	0.000	1	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]H)(NCH)	119.8779	1.059	18	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(CC[6a]H)(NCH)	119.7553	0.845	20	120.7056	1.511	424	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(CC[6a]H)(NC[5]C)	121.9758	1.381	4	121.9758	1.908	4	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[5a]H)	120.1145	1.282	2	120.2340	1.888	6	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5a]H)	117.9130	0.000	1	120.2340	1.888	6	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[5a]H)	121.0873	0.315	3	120.2340	1.888	6	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(NC[6a]C)	121.8765	0.303	2	121.5583	0.350	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	120.9220	0.000	1	121.5583	0.350	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	120.8070	0.000	1	120.8414	1.051	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|N<3>}	N(CC[6a]H)(NC[6a]H)	121.3808	0.503	4	120.8414	1.051	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	N(CC[6a]H)(NC[6a]H)	119.6970	0.000	1	120.8414	1.051	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC[6a]H)	120.7576	0.255	5	120.8414	1.051	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[6a]H)	120.2349	0.911	9	120.8414	1.051	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	121.4537	1.304	8	120.8414	1.051	28	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHH)	121.0020	0.000	1	121.0020	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NHS)	120.6782	1.276	4	120.2844	0.879	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	N(CC[6a]H)(NHS)	119.6120	0.000	1	120.2844	0.879	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NHS)	120.1200	0.000	1	120.2844	0.879	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NHS)	119.7743	0.803	3	120.2844	0.879	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHS)	120.0660	0.099	2	120.2844	0.879	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NHS)	121.5130	0.000	1	120.2844	0.879	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NP[6]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NP[6]C)	120.0140	0.767	4	120.0140	0.588	4	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NPdC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NPdC)	121.8880	0.000	1	121.8880	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(NRuC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NRuC)	123.2060	0.000	1	123.2060	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	120.8596	1.392	9	120.8596	1.937	9	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.8340	0.000	1	119.8340	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	119.8580	0.502	2	119.8580	0.252	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]H)(NCC)	120.4910	0.000	1	120.4910	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	120.3108	1.243	17	120.3108	1.545	17	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]H)(NC[5a]H)	120.8900	0.000	1	120.8900	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	120.3920	0.000	1	120.3920	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NAlC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NAlC)	121.3370	0.000	1	121.3370	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCC)	118.8200	0.714	2	119.8613	0.733	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NCC)	120.1410	0.000	1	119.8613	0.733	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCC)	120.0617	0.786	9	119.8613	0.733	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	121.3173	1.322	4	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	119.6260	0.000	1	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NCH)	121.8207	0.748	3	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(NCH)	121.1408	0.579	6	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NCH)	121.2561	1.133	19	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCH)	121.8420	0.999	109	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(NCH)	121.9143	1.543	3	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	121.5288	1.213	322	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(NCH)	120.9162	1.282	12	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NCH)	120.3804	0.874	8	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NCH)	123.9060	0.000	1	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(CC[6a]H)(NCH)	120.5511	0.922	21	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	N(CC[6a]H)(NCH)	119.8310	0.630	3	121.5017	1.417	512	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCP)	121.1820	1.489	2	121.1820	2.218	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCS)	120.1940	0.449	3	120.1940	0.202	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5]H)	122.4090	0.000	1	122.4090	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[5a]H)	120.8790	0.000	1	120.3704	1.524	5	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[5a]H)	119.6280	2.010	2	120.3704	1.524	5	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5a]H)	120.8585	0.470	2	120.3704	1.524	5	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6]C)	119.4750	0.088	2	119.4750	0.008	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC[6]H)	118.2860	0.000	1	120.7374	1.698	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6]H)	121.1396	0.891	5	120.7374	1.698	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6]H)	121.1780	0.000	1	120.7374	1.698	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]2)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6a]2)	120.4520	0.414	2	120.2236	0.543	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]2)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]2)	120.1322	0.857	5	120.2236	0.543	7	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[6a]C)	119.5400	0.000	1	120.5280	1.952	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	121.5160	0.000	1	120.5280	1.952	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	121.7615	0.886	2	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	120.9500	0.000	1	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	120.2483	0.488	3	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|I<1>}	N(CC[6a]H)(NC[6a]H)	120.2130	0.000	1	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC[6a]H)	120.4700	0.195	2	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NC[6a]H)	121.7229	1.314	19	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	121.2507	0.984	43	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(NC[6a]H)	121.4720	1.708	4	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	120.9637	0.678	3	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.9580	0.525	3	121.2536	1.236	81	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCuC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NCuC)	119.6460	0.000	1	120.9240	3.267	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCuC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCuC)	122.2020	0.000	1	120.9240	3.267	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NFeC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NFeC)	120.6730	0.000	1	120.6730	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NHH)	120.2780	0.000	1	121.0600	1.223	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHH)	121.8420	0.000	1	121.0600	1.223	2	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NHP)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHP)	121.2670	0.000	1	121.2670	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(NHS)	120.2330	0.000	1	121.3715	1.527	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NHS)	121.6708	1.114	10	121.3715	1.527	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(NHS)	119.5170	0.000	1	121.3715	1.527	12	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NIrC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NIrC)	120.2170	0.000	1	120.2170	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NP[6]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NP[6]H)	120.9590	0.000	1	120.9590	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NReC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(NReC)	120.4180	0.000	1	120.4180	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NRuC)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NRuC)	120.5490	1.640	3	120.5490	2.688	3	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NSiH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NSiH)	121.9670	0.000	1	121.9670	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	117.8300	1.165	6	117.8300	1.357	6	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN)	N(CC[6a]H)(NC[5]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5]H)	116.0810	0.000	1	116.0810	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[5a]H)	118.1640	0.000	1	118.1640	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	114.9290	0.000	1	114.9290	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCH)	122.7435	0.967	2	120.2264	3.013	9	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN){3|C<3>}	N(CC[6a]H)(NCH)	119.5073	1.071	7	120.2264	3.013	9	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>}	N(CC[6a]H)(NCH)	123.1510	0.000	1	123.1510	0.000	1	120.8828	1.990	1432	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(SCO)	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	N(CC[6a]H)(SCO)	121.3595	1.135	2	121.3595	1.288	2	122.1776	1.116	5	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(SCO)	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(SCO)	122.7230	0.688	3	122.7230	0.473	3	122.1776	1.116	5	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5]N[5]S[5])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]N[5]S[5])(CC[6a]H)	123.0680	0.000	1	121.9848	0.622	4	121.9848	0.622	4	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5]N[5]S[5])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]S[5])(CC[6a]H)	121.5540	0.522	2	121.9848	0.622	4	121.9848	0.622	4	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5]N[5]S[5])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]H)	121.7630	0.000	1	121.9848	0.622	4	121.9848	0.622	4	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,2|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	121.2490	0.000	1	121.2490	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	123.5080	0.000	1	123.5080	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	122.9440	0.675	2	122.9440	0.455	2	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	122.4200	0.000	1	122.4200	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	122.2600	0.000	1	122.2600	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	122.7170	0.000	1	122.7170	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	120.9290	0.000	1	120.9290	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	120.2850	0.000	1	120.2850	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	122.1290	0.000	1	122.1290	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	119.7720	0.000	1	119.7720	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	120.3625	0.931	2	120.3625	0.867	2	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	120.5775	0.145	2	120.2535	0.149	4	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	119.9295	0.070	2	120.2535	0.149	4	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	120.9820	0.000	1	120.9820	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	122.1940	0.000	1	122.1940	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	122.7210	0.513	2	122.7210	0.264	2	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(C[5a]C[5a]2)(CC[6a]H)	122.1180	0.000	1	122.1180	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	122.5495	0.267	2	122.5495	0.071	2	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	119.8210	0.000	1	119.8210	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	121.3710	0.000	1	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	121.8950	0.000	1	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	121.8820	0.000	1	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]2)(CC[6a]H)	121.5840	1.295	2	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	120.8443	0.658	4	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	121.0396	0.593	10	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	N(C[5a]C[5a]2)(CC[6a]H)	121.3160	0.000	1	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	121.1073	0.738	3	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	119.9600	0.000	1	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	121.9420	0.000	1	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(C[5a]C[5a]2)(CC[6a]H)	121.2760	0.086	2	121.1549	0.437	27	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	122.6550	0.000	1	122.1992	0.278	5	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	122.0853	0.533	4	122.1992	0.278	5	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	121.1330	0.000	1	120.5938	1.083	4	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	120.4140	1.196	3	120.5938	1.083	4	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	121.7570	0.350	6	121.7570	0.123	6	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]2)(CC[6a]H)	121.7240	0.000	1	121.6297	0.226	6	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]H)	121.8067	0.453	3	121.6297	0.226	6	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[5a]N[5a]2)(CC[6a]H)	121.3170	0.648	2	121.6297	0.226	6	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	123.1030	0.000	1	122.2556	0.621	19	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	122.1593	0.540	4	122.2556	0.621	19	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	122.2991	0.840	13	122.2556	0.621	19	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	121.2290	0.000	1	122.2556	0.621	19	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	119.2470	0.000	1	119.2470	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	120.5455	0.667	2	120.5455	0.445	2	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	120.6890	0.000	1	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]2)(CC[6a]H)	119.5770	0.314	2	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	121.5349	0.890	24	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|N<3>,1|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	123.0960	0.000	1	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	121.6580	0.875	20	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(C[5a]C[5a]2)(CC[6a]H)	122.9950	0.000	1	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]2)(CC[6a]H)	122.1620	0.140	2	121.5736	0.937	51	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	120.7500	0.000	1	122.7846	1.557	16	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	123.0136	1.147	14	122.7846	1.557	16	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	121.6120	0.000	1	122.7846	1.557	16	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(CC[6a]H)	122.4143	0.491	3	122.4143	0.241	3	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	123.4068	1.127	14	123.3849	1.186	15	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(C[5a]C[5a]S[5a])(CC[6a]H)	123.0780	0.000	1	123.3849	1.186	15	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	124.7950	0.000	1	124.7950	0.000	1	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]H)	122.6667	0.733	12	122.6667	0.538	12	121.8976	1.380	193	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CC[6a]H)	120.8540	0.000	1	121.3030	0.403	2	121.3030	0.403	2	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]H)	121.7520	0.000	1	121.3030	0.403	2	121.3030	0.403	2	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2720	0.000	1	123.2720	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN){4|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.6120	0.000	1	125.6120	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2120	0.000	1	123.2120	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1173	0.532	3	123.1173	0.283	3	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	120.9015	0.718	2	120.9015	0.515	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.3060	1.165	2	121.3060	1.358	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0491	1.449	11	122.0491	2.099	11	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CHN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	125.4500	0.000	1	125.4500	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	119.6090	0.000	1	119.6090	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.8160	0.000	1	121.4905	0.212	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.1650	0.000	1	121.4905	0.212	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.6363	0.639	9	121.6363	0.408	9	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	121.8830	0.495	2	121.8830	0.245	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	126.2650	0.000	1	126.2650	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4349	2.211	8	122.4349	4.888	8	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	125.8510	0.000	1	125.8670	0.001	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	125.8830	0.000	1	125.8670	0.001	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.6236	0.970	5	122.5953	1.061	7	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.5245	1.610	2	122.5953	1.061	7	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.8116	0.835	8	123.8116	0.697	8	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.2810	0.000	1	122.2810	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.9394	0.751	13	121.1428	0.502	21	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.4734	0.517	8	121.1428	0.502	21	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.7855	2.057	2	123.4123	0.896	10	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.3190	0.706	8	123.4123	0.896	10	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4070	0.000	1	122.4070	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.6270	0.000	1	122.7335	6.710	28	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.2445	0.394	2	122.7335	6.710	28	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.6569	2.735	25	122.7335	6.710	28	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	122.0000	0.402	2	122.0000	0.161	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.1885	0.513	2	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.4660	1.441	2	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.1696	0.561	16	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	123.4670	0.000	1	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.3777	0.507	4	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.4995	1.190	2	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.4705	0.612	2	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	121.4440	0.000	1	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	120.1280	0.000	1	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	121.6330	0.000	1	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	120.9710	0.000	2	122.1202	0.601	34	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	121.2108	0.388	4	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.5618	0.843	35	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.0710	0.142	3	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7701	0.382	11	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0930	0.000	1	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0861	0.716	57	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7880	0.000	1	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7670	0.000	1	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7090	0.672	2	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.1437	3.326	3	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]H)	119.8200	2.995	5	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.5890	0.853	4	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9110	0.725	108	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7060	0.000	1	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	122.6730	0.999	31	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.0149	0.716	178	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.4492	0.462	6	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7413	1.447	21	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.4978	0.660	21	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.4112	0.728	10	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7117	0.421	9	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.5059	0.652	13	121.9323	0.828	525	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	122.0150	0.000	1	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.5783	1.192	3	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.7270	0.000	1	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.6020	0.000	1	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.4250	0.392	3	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.6637	0.610	6	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.4900	0.577	2	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.3330	0.000	2	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	122.1815	0.704	2	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	121.5780	0.000	1	121.6329	0.332	22	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.3372	1.070	4	123.3372	1.146	4	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	123.9670	1.198	2	123.9670	1.435	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.2223	1.222	4	122.2223	1.494	4	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.1743	0.730	11	122.1743	0.532	11	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.3927	0.664	6	122.2456	0.469	9	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	122.3640	0.000	1	122.2456	0.469	9	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	121.7450	0.950	2	122.2456	0.469	9	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.2890	0.000	1	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9010	0.149	6	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9533	0.779	12	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	124.0003	1.173	19	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1423	2.941	3	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.3807	0.911	10	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7338	1.153	199	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)	123.1237	1.028	7	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	123.5053	1.996	3	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	122.7055	1.282	14	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.7819	1.314	16	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	121.9273	0.918	6	122.7052	1.526	296	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]N[6a])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]H)	123.4680	0.000	1	123.4680	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	122.6452	2.339	12	122.6452	5.472	12	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.1820	0.327	2	124.1820	0.107	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	121.4660	0.000	1	121.4660	0.000	1	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	124.1845	2.470	2	124.1845	6.101	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)	120.0193	3.660	3	120.0193	13.397	3	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)	123.4885	0.623	2	123.4885	0.388	2	122.2392	1.535	1055	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	N(N[5]C[5]2)(CC[6a]H)	120.6720	0.000	1	120.6720	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	118.4140	0.000	1	118.4140	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	N(N[5]C[5,6]C[5])(CC[6a]H)	119.6690	0.000	1	119.6690	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	118.5220	0.000	1	118.5220	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5,6]C[5])(CC[6a]H)	117.2790	0.000	1	117.2790	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(N[5]C[5,6a]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5,6a]C[5])(CC[6a]H)	118.3250	0.000	1	118.3250	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	120.3725	1.176	2	120.3725	1.383	2	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	119.1864	1.310	8	118.8869	1.415	18	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5]C[5]2)(CC[6a]H)	118.6474	1.093	10	118.8869	1.415	18	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	121.5760	0.000	1	121.5760	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	120.8550	1.355	2	120.8550	1.836	2	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	121.8335	0.151	2	121.8335	0.023	2	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5,6]C[5])(CC[6a]H)	116.9220	0.000	1	116.9220	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	118.3290	0.000	1	118.3290	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	N(N[5]C[5,6]C[5])(CC[6a]H)	121.1425	0.303	2	120.1640	0.948	7	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(N[5]C[5,6]C[5])(CC[6a]H)	118.8030	0.000	1	120.1640	0.948	7	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(N[5]C[5,6]C[5])(CC[6a]H)	120.3170	0.000	1	120.1640	0.948	7	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5,6]C[5])(CC[6a]H)	119.8030	0.000	1	120.1640	0.948	7	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5]C[5,6]C[5])(CC[6a]H)	119.0750	0.000	1	120.1640	0.948	7	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	120.8650	0.000	1	120.1640	0.948	7	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(N[5]C[5]2)(CC[6a]H)	120.4045	0.587	6	120.2229	0.791	18	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	120.1277	0.590	8	120.2229	0.791	18	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5]C[5]2)(CC[6a]H)	120.3160	2.075	3	120.2229	0.791	18	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(N[5]C[5]2)(CC[6a]H)	119.6160	0.000	1	120.2229	0.791	18	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5,6]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]H)	118.4730	0.355	2	118.4730	0.126	2	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	121.1240	0.000	1	121.1240	0.000	1	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5,6a]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(N[5]C[5,6a]C[5])(CC[6a]H)	118.7280	0.948	2	118.7280	0.898	2	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(N[5]C[5]2)(CC[6a]H)	118.4490	1.545	3	120.1931	1.301	71	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(N[5]C[5]2)(CC[6a]H)	120.7197	1.233	9	120.1931	1.301	71	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	120.2169	1.041	58	120.1931	1.301	71	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(N[5]C[5]2)(CC[6a]H)	119.3070	0.000	1	120.1931	1.301	71	119.9268	1.592	134	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN){2|C<3>}	N(N[5a]C[5a]2)(CC[6a]H)	120.4700	0.000	1	120.4700	0.000	1	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	121.6450	0.000	1	121.6450	0.000	1	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	118.2270	1.561	2	118.2270	2.438	2	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	121.4810	0.000	1	120.6481	0.535	7	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(N[5a]C[5a]2)(CC[6a]H)	120.7620	0.000	1	120.6481	0.535	7	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(N[5a]C[5a]2)(CC[6a]H)	119.6465	0.056	2	120.6481	0.535	7	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	121.0003	0.245	3	120.6481	0.535	7	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	120.0060	0.000	1	120.5214	2.136	26	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(N[5a]C[5a]2)(CC[6a]H)	121.0970	0.000	1	120.5214	2.136	26	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(N[5a]C[5a]2)(CC[6a]H)	120.6397	1.443	4	120.5214	2.136	26	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]H)	120.5240	1.601	19	120.5214	2.136	26	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(N[5a]C[5a]2)(CC[6a]H)	119.9390	0.000	1	120.5214	2.136	26	120.4504	1.966	37	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	N(N[6]C[6]2)(CC[6a]H)	120.9735	0.378	2	120.9735	0.143	2	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	N(N[6]C[6]2)(CC[6a]H)	123.8890	0.000	1	123.8890	0.000	1	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.0150	0.000	1	119.0150	0.000	1	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.8520	0.000	1	119.8520	0.000	1	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(N[6]C[6,6a]C[6])(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[6]C[6,6a]C[6])(CC[6a]H)	118.4390	0.000	1	118.4390	0.000	1	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.8230	0.000	1	119.8230	0.000	1	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[6]B[6]C[6])(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(N[6]B[6]C[6])(CC[6a]H)	120.8340	0.000	1	120.8340	0.000	1	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	121.1710	0.000	1	119.9737	0.440	6	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(N[6]C[6]2)(CC[6a]H)	119.4090	0.000	1	119.9737	0.440	6	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.7087	0.323	3	119.9737	0.440	6	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(N[6]C[6]2)(CC[6a]H)	120.1360	0.000	1	119.9737	0.440	6	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	119.6610	0.629	2	119.6610	0.396	2	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	115.0520	0.000	1	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<2>,1|C<3>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	124.3250	0.000	1	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	121.1430	0.000	1	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(N[6]C[6]2)(CC[6a]H)	120.9150	0.000	1	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(N[6]C[6]2)(CC[6a]H)	121.0080	0.725	2	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	120.7324	2.521	8	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(N[6]C[6]2)(CC[6a]H)	120.7625	1.957	2	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(N[6]C[6]2)(CC[6a]H)	118.1100	0.000	1	120.5262	6.283	17	120.3608	3.909	33	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(N[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NN[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]H)	120.7507	0.237	3	120.7507	0.056	3	120.7507	0.056	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	S-3:C-3:	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(SC[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(SC[5,6]O)(CC[6a]H)	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(NPdC)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(NPdC)	131.3380	0.000	1	131.3380	0.000	1	131.3380	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO){1|C<4>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CNS)	114.3754	0.897	8	114.3754	0.805	8	114.3754	0.805	8	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CSeN)	116.0670	0.000	2	116.0670	0.000	2	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNN)	122.7980	1.054	3	122.7980	1.111	3	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5]Cl)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[5]Cl)(CC[6a]O)	115.7250	0.382	2	115.7250	0.146	2	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]2)(CC[6a]O)	116.4530	0.000	1	116.4530	0.000	1	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)	117.3430	0.000	1	117.3430	0.000	1	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	115.7248	1.603	4	115.7248	2.569	4	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCS)	114.3790	0.000	1	114.3790	0.000	1	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC[5]S)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC[5]S)	118.0900	0.000	1	118.0900	0.000	1	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNN)	114.1815	0.759	10	114.1815	0.576	10	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.3365	1.665	4	115.3365	2.771	4	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[5a]N)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN[5a]N)	113.1890	0.000	1	113.1890	0.000	1	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(COS)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(COS)	113.1235	1.754	2	113.1235	3.078	2	115.7418	7.481	32	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5]H)	114.4040	0.000	1	114.4040	0.000	1	114.3928	1.219	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(NCH)	113.9017	0.503	4	113.9017	0.253	4	114.3928	1.219	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5]H)	114.0600	0.000	1	114.0600	0.000	1	114.3928	1.219	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCuC)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCuC)	114.9655	2.442	2	114.9655	5.962	2	114.3928	1.219	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)	C(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NHH)	115.5330	0.000	1	115.5330	0.000	1	114.3928	1.219	9	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[5]N[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]O)	113.9000	0.000	1	113.9000	0.000	1	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]N[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(CC[6a]O)	114.4320	0.000	1	114.4320	0.000	1	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]O[5])(CC[6a]O)	113.9365	0.192	4	113.9365	0.037	4	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]2)(CC[6a]O)	114.2735	0.028	2	114.2735	0.001	2	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]N[5]O[5])(CC[6a]O)	115.3250	0.000	1	114.5605	1.169	2	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(CC[6a]O)	113.7960	0.000	1	114.5605	1.169	2	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]N[5]S[5])(CC[6a]O)	115.5530	0.000	1	116.0775	3.569	15	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]O)	116.1150	1.955	14	116.0775	3.569	15	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]O[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]O[5]S[5])(CC[6a]O)	115.2910	0.000	1	115.2910	0.000	1	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]Se[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[5]Se[5]2)(CC[6a]O)	115.1060	0.000	1	115.1060	0.000	1	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]Se[5]N[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]Se[5]N[5])(CC[6a]O)	115.6269	1.015	7	115.6269	1.030	7	115.3734	2.438	34	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[5a]C[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]O)	115.5560	0.000	1	115.5560	0.000	1	113.8497	3.181	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)	111.9980	0.000	1	111.9980	0.000	1	113.8497	3.181	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]2)(CC[6a]O)	113.9950	0.000	1	113.9950	0.000	1	113.8497	3.181	3	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]N[6]O[6])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]N[6]O[6])(CC[6a]O)	114.4930	0.000	1	114.4930	0.000	1	114.4195	0.574	4	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]N[6]S[6])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]N[6]S[6])(CC[6a]O)	114.3950	0.926	3	114.3950	0.857	3	114.4195	0.574	4	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CNO){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)	119.1870	0.000	1	119.1870	0.000	1	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)	114.6880	0.000	1	114.6880	0.000	1	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	115.0390	0.000	1	115.0390	0.000	1	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	116.2990	0.000	1	116.7117	0.749	3	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	116.1300	0.000	1	116.7117	0.749	3	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)	117.7060	0.000	1	116.7117	0.749	3	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]O)	115.0160	0.000	1	115.1007	0.132	3	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	115.1430	0.503	2	115.1007	0.132	3	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	115.7540	0.000	1	115.5867	0.732	9	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	116.0255	0.325	2	115.5867	0.732	9	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)	113.5150	0.000	1	115.5867	0.732	9	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	115.7920	0.457	5	115.5867	0.732	9	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)	116.1963	0.181	3	116.1963	0.033	3	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	115.5278	0.814	5	115.5278	0.662	5	115.8023	1.153	26	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	N[4]-3:C-3:	C(C[6a]C[6a]2)(NN[4])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(N[4]C[4]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[4])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(N[4]C[4]2)(CC[6a]O)	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[5])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]O)	113.1811	1.113	7	113.1811	1.239	7	113.1811	1.239	7	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5a]C[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[5a])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]O)	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]O)	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[5]N[5]2)(CC[6a]S)	C(C[6a]C[6a]2)(NC[5])(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]2)(CC[6a]S)	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[5a]N[5a]2)(CC[6a]S)	C(C[6a]C[6a]2)(NC[5a])(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]2)(CC[6a]S)	113.1600	0.010	2	113.1600	0.000	2	113.1600	0.000	2	121.1998	4.090	3285	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[5,6,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	N(CC[6a]H)(CC3)	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN){1|Se<2>,1|H<1>,2|C<3>}	N(CC[6a]H)(CCHH)	118.4260	0.000	1	118.4260	0.000	1	118.1770	3.741	4	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	N(CC[6a]H)(CC3)	120.8130	0.000	1	120.8130	0.000	1	118.1770	3.741	4	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN){1|C<4>,1|N<3>,2|C<3>}	N(CC[6a]H)(CCHH)	116.7345	0.227	2	116.7345	0.052	2	118.1770	3.741	4	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]H)(CCHH)	125.5050	1.076	2	125.5050	1.158	2	125.5050	1.158	2	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CCCH)	122.9330	0.000	2	122.9330	0.000	2	122.5351	1.891	9	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CCHH)	122.3770	0.000	1	122.3770	0.000	1	122.5351	1.891	9	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	N(CC[6a]H)(CCCH)	121.7340	0.000	1	121.7340	0.000	1	122.5351	1.891	9	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]H)(CCHH)	121.1365	0.112	2	122.5933	6.373	3	122.5351	1.891	9	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CCHH)	125.5070	0.000	1	122.5933	6.373	3	122.5351	1.891	9	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CCHH)	122.5295	1.179	2	122.5295	1.389	2	122.5351	1.891	9	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CCHH)	125.0190	0.000	1	125.0190	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCCH)	122.5705	1.026	4	122.5705	1.053	4	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	N(CC[6a]H)(CCHH)	122.0900	0.171	2	122.0900	0.029	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	N(CC[6a]H)(CCHH)	120.4810	0.000	1	120.4810	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN){2|C<3>}	N(CC[6a]H)(CCHH)	125.6700	0.000	1	125.6700	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	N(CC[6a]H)(CCCH)	122.1580	0.182	4	122.1580	0.033	4	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CC3)	117.5665	0.559	4	117.5665	0.313	4	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	N(CC[6a]H)(CCHH)	121.0010	0.041	2	121.0010	0.002	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	N(CC[6a]H)(CH3)	121.4940	0.000	1	121.4940	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	126.1300	0.000	1	126.1300	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(CCHH)	120.7695	0.421	2	121.4850	1.804	5	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	121.0480	0.566	2	121.4850	1.804	5	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(CCHH)	123.7900	0.000	1	121.4850	1.804	5	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	122.1760	0.000	1	122.1760	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	121.5720	0.000	1	121.4165	0.048	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(CCHH)	121.2610	0.000	1	121.4165	0.048	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	124.8283	0.486	3	124.8283	0.236	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CC3)	118.3405	0.750	2	118.3405	0.563	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	122.0820	0.000	1	122.0820	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	124.3771	1.915	13	124.4132	3.152	15	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCHH)	124.6480	0.018	2	124.4132	3.152	15	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(CC3)	121.0335	0.374	2	121.2668	0.329	4	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CC3)	121.5000	0.793	2	121.2668	0.329	4	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(CCCH)	120.9727	0.687	3	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(CCCH)	124.9760	0.000	1	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CCCH)	121.9210	0.754	2	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCCH)	122.1557	0.563	3	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(CCCH)	121.7880	0.000	1	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCCH)	121.8219	0.992	7	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	N(CC[6a]H)(CCCH)	122.2800	0.911	2	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	N(CC[6a]H)(CCCH)	120.6800	0.000	1	121.8992	1.208	20	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(CCHH)	121.4879	0.643	11	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(CCHH)	122.4562	0.582	13	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(CCHH)	121.7960	1.001	2	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]H)(CCHH)	121.1010	0.000	1	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(CCHH)	123.3634	1.293	5	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CCHH)	122.2281	0.597	19	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]H)(CCHH)	122.2752	0.851	16	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	121.8672	1.489	61	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	N(CC[6a]H)(CCHH)	122.3643	0.459	3	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(CC[6a]H)(CCHH)	122.2170	0.720	3	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	N(CC[6a]H)(CCHH)	124.3670	0.000	1	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(CCHH)	121.2620	0.781	7	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCHH)	121.8255	0.841	21	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]H)(CCHH)	120.6315	1.853	2	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(CC[6a]H)(CCHH)	121.2944	0.267	5	121.9733	1.331	170	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CH3)	120.7620	0.000	1	120.7620	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	123.1707	3.581	3	123.1707	12.825	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	122.4440	0.000	1	122.4440	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CC3)	122.2675	1.429	2	121.8337	1.586	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CC3)	120.9660	0.000	1	121.8337	1.586	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(CCCH)	120.7100	0.000	1	122.3115	5.130	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCCH)	123.9130	0.000	1	122.3115	5.130	2	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(CCHH)	123.6096	0.605	5	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]H)(CCHH)	121.6950	0.000	1	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(CCHH)	122.5723	0.600	7	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CCHH)	124.0277	0.553	4	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	123.0690	1.141	73	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]H)(CCHH)	124.9820	1.039	2	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CCHH)	123.2006	1.031	19	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(CC[6a]H)(CCHH)	122.0965	0.490	2	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){2|Cl<1>,1|C<3>}	N(CC[6a]H)(CCHH)	122.7360	0.000	1	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	N(CC[6a]H)(CCHH)	123.0345	1.551	6	123.1151	1.251	120	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(CH3)	122.0980	0.652	2	122.2490	0.281	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CH3)	122.5510	0.000	1	122.2490	0.281	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CHHP)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]H)(CHHP)	124.4350	1.967	3	124.4350	3.869	3	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)	123.1660	0.000	1	123.1660	0.000	1	122.4263	2.287	381	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(NCHH)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NCHH)	120.0445	0.504	2	120.0445	0.254	2	120.0445	0.254	2	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(PBCC)	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(PBCC)	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(CCCH)	117.0260	0.000	1	117.0260	0.000	1	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)	114.6460	0.000	1	114.6460	0.000	1	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CCHH)	120.0300	0.000	1	119.6830	0.241	2	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)	119.3360	0.000	1	119.6830	0.241	2	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)	117.8295	1.706	2	117.4183	1.963	3	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CC3)	116.5960	0.000	1	117.4183	1.963	3	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)	117.2506	0.577	5	117.2506	0.333	5	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)	117.6520	0.108	3	116.8335	1.171	12	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCHH)	116.5363	1.295	7	116.8335	1.171	12	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CCHH)	116.8640	0.000	1	116.8335	1.171	12	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	3:4:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(CCHH)	116.4280	0.000	1	116.8335	1.171	12	117.1478	1.694	24	122.0922	3.924	424	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[5a]HH)(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[5a]HH)(CC[6a]H)	121.2030	0.000	1	121.2030	0.000	1	121.5420	0.230	2	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CC[6a]H)	121.8810	0.000	1	121.8810	0.000	1	121.5420	0.230	2	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]H)	121.2890	0.000	1	121.2890	0.000	1	123.0684	3.694	7	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]H)	121.8630	0.000	1	121.8630	0.000	1	123.0684	3.694	7	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]H)	123.5112	2.257	4	123.5112	5.095	4	123.0684	3.694	7	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	N(CC[5a]HH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	N(CC[5a]HH)(CC[6a]H)	124.2820	0.000	1	124.2820	0.000	1	123.0684	3.694	7	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[3]C[3]2H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[3]C[3]2H)(CC[6a]H)	124.9590	0.000	1	124.9590	0.000	1	124.9590	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	N(C[5]C[5]2Fe)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(C[5]C[5]2Fe)(CC[6a]H)	121.6140	0.366	2	121.6140	0.134	2	121.6140	0.134	2	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.8273	2.137	3	122.8273	4.565	3	122.8273	4.565	3	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]H)	122.8354	0.659	10	122.8354	0.435	10	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN){2|C<3>}	N(CC[6a]HH)(CC[6a]H)	123.2670	0.000	1	123.2670	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]H)	128.4770	0.000	1	128.4770	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	N(CC[6]CH)(CC[6a]H)	123.3035	3.664	2	123.3035	13.421	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]H)	123.4760	0.000	1	123.4760	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.4980	0.000	1	122.4980	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	124.3495	0.289	2	124.3495	0.084	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.4075	0.807	2	122.4075	0.651	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.2840	0.000	1	122.2840	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]HN)(CC[6a]H)	120.6685	2.196	2	120.6685	4.821	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|N<3>}	N(CC[6a]2H)(CC[6a]H)	124.0520	0.000	1	124.0520	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	124.1487	2.763	3	124.1487	7.633	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	125.8500	0.000	1	125.8500	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[3x6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[3x6]CH)(CC[6a]H)	122.9010	0.000	1	122.7537	0.052	4	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[3x6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[3x6]CH)(CC[6a]H)	122.7047	0.252	3	122.7537	0.052	4	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[5]HH)(CC[6a]H)	121.9015	0.600	2	121.9015	0.360	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[5a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[5a]HH)(CC[6a]H)	122.0630	0.000	1	122.0630	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6,6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6,6]CH)(CC[6a]H)	122.0210	0.000	1	122.0210	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6,6]C[6a]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(CC[6a]H)	122.5130	0.000	1	122.5130	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6]CH)(CC[6a]H)	121.6255	0.103	2	121.6255	0.011	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6]HH)(CC[6a]H)	120.6220	0.530	2	121.6346	1.031	10	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6]HH)(CC[6a]H)	119.9620	0.000	1	121.6346	1.031	10	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6]HH)(CC[6a]H)	122.9410	0.091	2	121.6346	1.031	10	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]H)	121.8570	0.494	3	121.6346	1.031	10	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6]HH)(CC[6a]H)	121.8435	0.054	2	121.6346	1.031	10	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]2H)(CC[6a]H)	121.6630	0.000	1	121.4197	0.045	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]H)	121.3310	0.000	1	121.4197	0.045	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]2H)(CC[6a]H)	121.2650	0.000	1	121.4197	0.045	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]3)(CC[6a]H)	121.3850	0.000	1	120.2963	1.138	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]H)	120.2510	0.000	1	120.2963	1.138	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]3)(CC[6a]H)	119.2530	0.000	1	120.2963	1.138	3	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	121.3470	0.000	1	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(CC[6a]CH)(CC[6a]H)	122.4970	0.000	1	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.0590	0.000	1	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.4920	0.000	1	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]CH)(CC[6a]H)	120.6405	0.520	2	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(CC[6a]H)	120.9860	0.000	1	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.1973	0.910	15	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(CC[6a]CH)(CC[6a]H)	126.1090	0.000	1	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.4445	0.177	2	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]H)	121.8406	0.873	5	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]CH)(CC[6a]H)	121.9800	1.137	2	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	N(CC[6a]CH)(CC[6a]H)	121.0550	0.544	3	122.0271	1.268	35	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	121.6216	0.686	8	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(CC[6a]HH)(CC[6a]H)	122.6620	0.000	1	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	122.4170	0.402	2	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]H)	122.1613	0.206	3	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]H)	122.7425	1.315	2	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	118.2895	9.790	8	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|S<2>}	N(CC[6a]HH)(CC[6a]H)	121.3570	0.000	1	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(CC[6a]HH)(CC[6a]H)	121.4130	0.000	1	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	121.7447	0.496	3	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	N(CC[6a]HH)(CC[6a]H)	121.8170	0.000	1	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(CC[6a]HH)(CC[6a]H)	122.3670	0.000	1	120.9981	25.332	31	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]HN)(CC[6a]H)	122.4010	0.321	2	122.4010	0.103	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	125.7130	0.774	2	125.7130	0.598	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6]HH)(CC[6a]H)	122.1735	0.459	2	122.1735	0.211	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	122.2140	0.000	1	122.2140	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[3x6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[3x6]CH)(CC[6a]H)	124.3235	1.942	2	124.3235	3.773	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[5]CC)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[5]CC)(CC[6a]H)	121.0840	0.696	2	121.0840	0.484	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6]CC)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6]CC)(CC[6a]H)	120.6730	0.000	1	120.6730	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]H)	122.4080	0.277	2	122.4080	0.077	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]H)	122.5510	0.000	1	122.5510	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CC)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]H)	122.4490	1.065	8	122.1677	1.069	20	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CC)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	N(CC[6a]CC)(CC[6a]H)	121.9802	1.014	12	122.1677	1.069	20	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.7740	0.000	1	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.4370	0.000	1	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]CH)(CC[6a]H)	122.6690	0.000	1	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(CC[6a]H)	122.3360	0.000	1	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.8345	0.646	11	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	122.6480	0.000	1	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]H)	123.3600	0.552	2	122.8202	0.323	18	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]CoH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]CoH)(CC[6a]H)	122.0160	0.000	1	122.0160	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	123.1600	0.485	2	121.5862	6.197	13	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	N(CC[6a]HH)(CC[6a]H)	124.2660	0.000	1	121.5862	6.197	13	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<4>,2|C<3>}	N(CC[6a]HH)(CC[6a]H)	121.1833	2.523	6	121.5862	6.197	13	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]H)	119.8987	2.993	3	121.5862	6.197	13	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	123.2380	0.000	1	121.5862	6.197	13	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	126.7880	0.000	1	126.7880	0.000	1	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	122.4505	1.326	2	122.4505	1.758	2	122.1482	6.246	191	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[3]C[3]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[3]C[3]2H)(CC[6a]H)	121.4880	0.000	1	121.6657	0.070	3	121.6657	0.070	3	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[3]C[3]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[3]C[3]2H)(CC[6a]H)	121.7545	0.303	2	121.6657	0.070	3	121.6657	0.070	3	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[3x6]C[6,6]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[3x6]C[6,6]3)(CC[6a]H)	122.6520	0.000	1	122.6520	0.000	1	122.5041	0.839	10	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[3x6]C[6,6]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[3x6]C[6,6]3)(CC[6a]H)	122.0885	0.805	2	122.0885	0.649	2	122.5041	0.839	10	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[3x6]C[6,6]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]H)	122.6017	1.038	7	122.6017	1.078	7	122.5041	0.839	10	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(NC[5,6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	C(C[6a]C[6a]2)(NC[5,6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5]C[5]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[5]C[5]2H)(CC[6a]H)	122.6390	0.000	1	122.6390	0.000	1	122.5855	0.240	4	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[5]C[5]2Fe)(CC[6a]H)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]H)	122.5677	0.598	3	122.5677	0.358	3	122.5855	0.240	4	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[6,6]C[6,6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6,6]C[6,6]2H)(CC[6a]H)	122.6940	0.000	1	122.6940	0.000	1	122.0362	0.693	5	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[6,6]C[3x6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6,6]C[3x6]2H)(CC[6a]H)	120.5850	0.000	1	120.5850	0.000	1	122.0362	0.693	5	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	122.3400	0.119	2	122.3400	0.014	2	122.0362	0.693	5	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	122.2220	0.000	1	122.2220	0.000	1	122.0362	0.693	5	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	123.1555	1.373	4	123.1555	1.886	4	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	122.7990	0.000	1	122.7990	0.000	1	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	123.5070	0.000	1	123.5070	0.000	1	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	120.6443	0.603	3	120.6443	0.363	3	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]H)	121.9765	0.499	2	121.1907	0.614	6	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	120.7978	0.568	4	121.1907	0.614	6	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	122.8885	0.346	2	122.8885	0.120	2	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.4475	0.764	2	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.2060	0.000	1	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.0253	0.636	12	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	122.0682	1.678	6	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]H)	122.8185	0.155	2	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.4109	0.594	10	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]H)	122.2801	0.829	7	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]H)	123.4224	0.335	7	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	122.4927	0.686	19	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.5554	1.243	52	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.8457	0.518	3	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.3830	0.752	12	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|F<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.3743	0.833	12	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	121.8336	0.744	5	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	121.8791	1.013	12	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Se<1>,1|Se<2>,1|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.4770	0.000	1	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Se<1>,1|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	121.6030	0.000	1	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.0343	2.464	12	122.2986	1.362	176	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]O[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]H)	122.2000	0.000	1	122.3387	0.202	3	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]O[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]H)	122.8410	0.000	1	122.3387	0.202	3	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]O[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]H)	121.9750	0.000	1	122.3387	0.202	3	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.1467	0.916	7	121.1467	0.838	7	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	122.7765	0.218	2	122.7765	0.048	2	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6,6]C[6]C)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6]C[6,6]C[6]C)(CC[6a]H)	122.7400	0.000	1	122.7400	0.000	1	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6]2C)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(C[6]C[6]2C)(CC[6a]H)	121.3555	0.677	2	121.3555	0.458	2	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	122.7558	1.162	73	122.6597	1.261	90	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	122.5309	0.773	12	122.6597	1.261	90	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	121.7845	0.463	4	122.6597	1.261	90	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){2|Cl<1>,1|C<3>}	N(C[6]C[6]2H)(CC[6a]H)	120.6920	0.000	1	122.6597	1.261	90	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6]C[6]O[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]H)	122.5000	0.000	1	122.5000	0.000	1	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]O)2(CHN)	N(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	124.2290	0.000	1	124.2290	0.000	1	122.3683	1.381	300	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(PC[6a]2S)(CC[6a]H)	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(PC[6a]2S)(CC[6a]H)	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]H)	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2C)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	N(C[6]C[6]2C)(CC[6a]O)	117.6360	0.000	1	117.6360	0.000	1	117.6360	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]O)	114.5060	0.000	1	114.5060	0.000	1	114.5060	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]HH)(CC[6a]O)	115.9690	0.754	2	115.9690	0.568	2	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)	115.1490	0.000	1	115.1490	0.000	1	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|S<2>}	N(CC[6a]HH)(CC[6a]O)	119.9780	0.000	1	119.9780	0.000	1	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)	114.6440	0.000	1	114.6440	0.000	1	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)	116.7321	0.819	7	116.6137	0.687	8	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]CH)(CC[6a]O)	115.7850	0.000	1	116.6137	0.687	8	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]O)	117.8220	0.000	1	118.1160	0.306	3	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)	118.2630	0.694	2	118.1160	0.306	3	116.8104	2.021	16	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	116.1590	1.194	2	116.1590	1.425	2	116.1590	1.425	2	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-4:C-3:	C(C[6a]C[6a]2)(NN[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2C)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6]C[6]2C)(CC[6a]O)	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(PC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(NP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(PC[6a]3)(CC[6a]O)	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C-3:	C(C[6a]C[6a]2)(NP[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(P[6]O[6]2Se)(CC[6a]O)	C(C[6a]C[6a]2)(NP[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(P[6]O[6]2Se)(CC[6a]O)	116.7620	0.000	1	116.7620	0.000	1	116.7620	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:1:	3:3:3:	4:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(SC[6a]OO)(CC[6a]O)	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	122.0397	4.626	555	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:2:3:	3:3:	C[6a]-3:C-2:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CN)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CN)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	124.4280	6.747	2	124.4280	45.525	2	124.4280	45.525	2	124.9313	23.522	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:2:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)2	C(C[6a]C[6a]N[6a])(NC)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2	125.9380	0.000	1	125.9380	0.000	1	125.9380	0.000	1	124.9313	23.522	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(O)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(O)	117.9800	0.000	1	117.9800	0.000	1	120.6130	4.642	4	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	N(CC[6a]C)(O)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(O)	120.0870	0.000	1	120.0870	0.000	1	120.6130	4.642	4	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(O)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(O)	121.2630	0.000	1	122.1925	1.728	2	120.6130	4.642	4	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(O)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(O)	123.1220	0.000	1	122.1925	1.728	2	120.6130	4.642	4	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:N-2:N-2:	C[4,6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[4,6a]C[6a])(NH)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NH)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN){1|H<1>,3|C<3>}	N(CC[6a]N)(H)	119.5980	0.396	2	119.5980	0.157	2	119.5980	0.157	2	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)	119.9570	0.604	4	119.9570	0.365	4	119.9570	0.365	4	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:1:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)	128.9630	0.000	1	128.9630	0.000	1	128.9630	0.000	1	120.9490	8.744	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	117.4510	0.000	1	117.4510	0.000	1	120.2173	1.331	28	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	118.0330	0.000	1	118.0330	0.000	1	120.2173	1.331	28	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OP)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OP)	117.2040	0.000	1	117.2040	0.000	1	120.2173	1.331	28	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	120.5995	0.743	21	120.5359	0.496	25	120.2173	1.331	28	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(OH)	120.2927	0.340	3	120.5359	0.496	25	120.2173	1.331	28	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(OH)	119.9290	0.000	1	120.5359	0.496	25	120.2173	1.331	28	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a])	119.0568	5.064	6	119.0568	25.643	6	119.0568	25.643	6	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NC)(NO)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(OC)	C(C[6a]C[6a]2)(NC)(NO)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|F<1>}	N(CC[6a]N)(OC)	123.0990	0.000	1	123.0990	0.000	1	123.3320	0.520	3	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NTi)(NO)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(OC)	C(C[6a]C[6a]2)(NTi)(NO)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|F<1>}	N(CC[6a]N)(OC)	123.4485	0.979	2	123.4485	0.959	2	123.3320	0.520	3	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(SN)	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(SN)	115.8225	1.559	2	115.8225	2.431	2	115.7165	0.806	6	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(SN)	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(SN)	115.0510	0.059	2	115.0510	0.004	2	115.7165	0.806	6	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SN)	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(SN)	116.2760	0.247	2	116.2760	0.061	2	115.7165	0.806	6	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(NC)(OC)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(CN)	C(C[6a]C[6a]2)(NC)(OC)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN)	125.6050	0.000	1	125.6050	0.000	1	125.6050	0.000	1	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(NN)(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]O)(NC[5])	121.6860	0.000	1	122.1985	0.525	2	122.1985	0.525	2	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(NN)(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NC[5])	122.7110	0.000	1	122.1985	0.525	2	122.1985	0.525	2	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(OC)	C[6a](C[6a]C[6a]O)2(CNO)	N(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NO)(OC)	C[6a](C[6a]C[6a]O)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(OC)	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(SC[6])(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(OH)	C(C[6a]C[6a]2)(SC[6])(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]S)(OH)	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	119.8750	7.876	48	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CN)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(CCH)	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCC)	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	130.7455	0.489	2	130.7455	0.239	2	124.6346	31.798	5	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	121.2010	0.122	2	121.2010	0.015	2	124.6346	31.798	5	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]N[6a])(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]C)	119.2800	0.000	1	119.2800	0.000	1	124.6346	31.798	5	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(NO)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NO)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|F<1>}	N(CC[6a]N)(CHN)	114.9280	0.000	1	114.9280	0.000	1	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(NS)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NS)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CHN)	121.1270	0.000	1	121.1270	0.000	1	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	117.4195	0.795	2	117.4195	0.633	2	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN){2|H<1>,3|C<3>}	N(CC[6a]N)2	117.3420	0.000	1	117.3420	0.000	1	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	115.3758	3.286	4	115.3758	10.801	4	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NPd)(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NPd)(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)2	113.0950	0.000	1	113.0950	0.000	1	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NRu)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NRu)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	114.0990	0.000	1	114.0990	0.000	1	116.0848	7.983	11	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NC[6a])(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]N)	114.7550	1.622	2	114.7550	2.631	2	115.2960	2.194	3	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	116.3780	0.000	1	116.3780	0.000	1	115.2960	2.194	3	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SC[6a]N)	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(SC[6a]N)	119.1058	6.125	8	119.1058	37.521	8	119.1058	37.521	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(NPt)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[5a]C[5a,6a]N[5a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(NPt)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(CC[6a]N)	115.4150	0.023	2	115.4150	0.001	2	115.4150	0.001	2	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	117.6250	0.000	1	117.6250	0.000	1	119.9704	14.189	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	119.4745	3.945	4	119.4745	15.566	4	119.9704	14.189	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	118.9045	1.460	2	118.9045	2.132	2	119.9704	14.189	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NS)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NS)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	126.4310	0.000	1	126.4310	0.000	1	119.9704	14.189	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Co)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Co)(CC[6a]N)	113.8605	0.520	2	113.8605	0.270	2	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Fe)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Fe)(CC[6a]N)	114.9666	1.096	10	114.9666	1.202	10	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]In)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]In)(CC[6a]N)	115.5780	0.000	1	115.5780	0.000	1	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Pd)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Pd)(CC[6a]N)	116.3912	1.402	4	116.3912	1.966	4	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Rh)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Rh)(CC[6a]N)	115.2998	0.906	4	115.2998	0.821	4	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Ru)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Ru)(CC[6a]N)	114.6382	0.849	6	114.6382	0.720	6	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Zn)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Zn)(CC[6a]N)	115.0658	0.862	6	115.0658	0.744	6	115.0895	1.199	33	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	129.4520	0.000	1	129.4520	0.000	1	129.4520	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)	119.2150	0.164	2	119.2150	0.027	2	119.2150	0.027	2	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(OCu)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[5]N[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(OCu)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(CC[6a]O)	114.0050	0.000	1	114.0050	0.000	1	116.2218	1.548	9	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(OMn)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(OMn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(CC[6a]O)	115.9927	0.174	3	115.9927	0.030	3	116.2218	1.548	9	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(ONi)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(ONi)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]2)(CC[6a]O)	116.1245	0.863	2	116.1245	0.745	2	116.2218	1.548	9	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(ORe)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(ORe)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]O)	117.2547	1.282	3	117.2547	1.642	3	116.2218	1.548	9	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	128.4890	0.000	1	128.4890	0.000	1	121.9626	57.202	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	130.7980	0.755	2	130.7980	0.570	2	121.9626	57.202	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(OH)	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(OH)	C[6a](C[6a]C[6a]Se[5])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	110.2190	0.000	1	110.2190	0.000	1	121.9626	57.202	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(ON)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(ON)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	120.0850	0.000	1	120.0850	0.000	1	121.9626	57.202	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(ONb[4])	C[6a](C[6a]C[6a]C)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(ONb[4])	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	116.5050	0.000	2	116.5050	0.000	2	121.9626	57.202	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(ORu)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(ORu)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	122.3020	0.000	1	122.3020	0.000	1	121.9626	57.202	8	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(SS)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(SS)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(NC[6a]H)	117.9280	0.201	2	117.9280	0.040	2	117.9280	0.040	2	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)	120.0290	0.000	1	120.0290	0.000	1	118.2885	1.773	4	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNS)	N(C[6a]C[6a]N[6a])(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]S)	116.8870	0.000	1	116.8870	0.000	1	118.2885	1.773	4	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(SHg)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a])(SHg)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)	118.1190	0.519	2	118.1190	0.269	2	118.2885	1.773	4	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(OPd)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(OPd)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CNS)	114.4710	0.754	2	114.4710	0.568	2	114.4710	0.568	2	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OAl)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(OAl)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	116.6005	0.604	6	116.6005	0.364	6	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC[5])(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	129.6500	0.000	1	129.6500	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OCo)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCo)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	114.8917	0.797	3	114.8917	0.635	3	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OCu)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCu)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	113.9870	0.000	1	113.9870	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OCu)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(OCu)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNN)	115.9040	0.000	1	115.9040	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OCu)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCu)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.6990	0.588	4	115.6990	0.346	4	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OFe)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(OFe)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CSeN)	115.3013	0.846	6	115.3013	0.716	6	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ONi)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.2463	1.838	4	115.2463	3.377	4	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ONi)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	114.1296	1.211	5	114.0226	1.013	7	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ONi)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNS)	113.7550	0.102	2	114.0226	1.013	7	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OPd)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPd)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.5680	0.775	3	115.5680	0.600	3	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OPd)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(OPd)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSeN)	114.3170	0.602	3	114.3170	0.363	3	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OPt)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPt)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.2133	0.983	7	115.0232	0.643	13	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OPt)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPt)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNS)	114.8015	0.524	6	115.0232	0.643	13	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORe)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.7233	1.145	10	115.1329	1.895	14	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORe)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNS)	113.6568	0.460	4	115.1329	1.895	14	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORe)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[6]S)	C(C[6a]C[6a]2)(ORe)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN[6]S)	118.4950	0.000	1	118.4950	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORh)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORh)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	113.5660	0.000	1	113.5660	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORu)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	115.8200	0.000	1	115.8200	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORu)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORu)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	115.4980	0.000	1	115.4980	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(ORu)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(ORu)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSeN)	114.8590	0.000	1	114.8590	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OTc)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OTc)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)	116.1180	0.792	2	116.1180	0.627	2	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OZn)(NC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OZn)(NC)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNS)	114.0160	0.000	1	114.0160	0.000	1	115.3902	4.249	74	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCa)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCaC)	C(C[6a]C[6a]2)(OCa)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCaC)	116.6400	0.000	1	116.6400	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCd)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCdC)	C(C[6a]C[6a]2)(OCd)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCdC)	114.9090	0.000	1	114.9090	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCd)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCdC)	C(C[6a]C[6a]2)(OCd)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCdC)	113.9577	0.375	3	114.1086	0.113	5	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCd)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCdC)	C(C[6a]C[6a]2)(OCd)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NCdC)	114.3350	0.028	2	114.1086	0.113	5	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCo)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCoC)	C(C[6a]C[6a]2)(OCo)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCoC)	115.0880	0.000	1	115.0880	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCoC)	C(C[6a]C[6a]2)(OCo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCoC)	115.8792	0.417	5	115.8792	0.174	5	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCo)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCoC)	C(C[6a]C[6a]2)(OCo)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCoC)	115.5160	0.000	1	115.5160	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCu)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCuC)	C(C[6a]C[6a]2)(OCu)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCuC)	115.1950	0.000	1	115.1950	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OCu)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCuC)	C(C[6a]C[6a]2)(OCu)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCuC)	114.7310	0.000	1	114.7310	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[5]Fe)	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5]Fe)	117.5327	1.043	7	117.5327	1.088	7	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[6]Fe)	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6]Fe)	117.7069	0.544	7	117.7069	0.296	7	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NFeC)	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NFeC)	116.9970	2.169	5	116.9970	4.704	5	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NFeC)	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NFeC)	116.5027	1.108	6	116.5782	0.948	8	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NFeC)	C(C[6a]C[6a]2)(OFe)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NFeC)	116.8050	0.595	2	116.5782	0.948	8	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NMnC)	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMnC)	117.4535	0.633	2	117.4535	0.401	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NMnC)	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMnC)	115.6190	0.040	2	115.6190	0.002	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NMnC)	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NMnC)	115.9830	0.000	1	115.9830	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NMnC)	C(C[6a]C[6a]2)(OMn)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMnC)	114.4853	0.451	12	114.4853	0.204	12	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NMoC)	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMoC)	120.8043	0.605	11	120.8043	0.367	11	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NMoC)	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMoC)	119.2800	0.298	2	119.2800	0.089	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NMoC)	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NMoC)	120.8370	0.000	1	120.8370	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NMoC)	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NMoC)	120.8100	0.000	1	119.7784	1.724	34	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NMoC)	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMoC)	120.1836	1.380	22	119.7784	1.724	34	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NMoC)	C(C[6a]C[6a]2)(OMo)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NMoC)	118.8741	0.565	11	119.7784	1.724	34	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NNiC)	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NNiC)	115.9500	0.590	2	115.9500	0.348	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NNiC)	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NNiC)	115.5400	0.000	1	115.5400	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NNiC)	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NNiC)	115.3433	0.459	3	115.3433	0.211	3	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NNiC)	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NNiC)	115.8840	0.000	1	115.8840	0.000	1	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NNiC)	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NNiC)	115.7715	0.664	11	115.3964	0.783	15	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NNiC)	C(C[6a]C[6a]2)(ONi)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NNiC)	114.3648	0.499	4	115.3964	0.783	15	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSi)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)	119.9645	0.265	2	119.9645	0.070	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSi[5])(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi[5])(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)	120.1395	0.738	2	120.1395	0.544	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NSnC)	117.7684	0.488	7	117.7684	0.238	7	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NSnC)	117.7436	0.686	5	117.6358	0.446	6	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NSnC)	117.0970	0.000	1	117.6358	0.446	6	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NSnC)	115.9377	0.755	4	115.9377	0.570	4	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NSnC)	116.9700	0.765	3	116.9700	0.586	3	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NSnC)	117.1786	0.828	20	117.0875	0.775	24	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NSnC)	C(C[6a]C[6a]2)(OSn)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NSnC)	116.6322	1.126	4	117.0875	0.775	24	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NZnC)	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NZnC)	117.1970	0.833	2	117.1970	0.694	2	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NZnC)	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NZnC)	116.2666	0.984	9	116.2666	0.968	9	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NZnC)	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NZnC)	117.1050	0.000	1	115.7877	1.012	10	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NZnC)	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NZnC)	115.6786	1.006	8	115.7877	1.012	10	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NZnC)	C(C[6a]C[6a]2)(OZn)(NN)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NZnC)	115.3430	0.000	1	115.7877	1.012	10	117.2719	4.343	199	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(ONb[3,3])(NC[6a])	C[6a](C[6a]C[6a]C)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(ONb[3,3])(NC[6a])	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)	117.8350	0.000	2	117.8350	0.000	2	117.8350	0.000	2	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(NN[6])	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(NN[6])	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]O)	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	S-3:C-3:	C(C[6a]C[6a]2)(OCo)(NS)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[5x3,5x5,20x6]Co)(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(NS)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(SC[5x3,5x5,20x6]Co)(CC[6a]O)	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:S-2:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(SC[6a])(NC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS)	N(CC[6a]S)(COO)	C(C[6a]C[6a,6a]C[6a])(SC[6a])(NC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS){2|H<1>,3|C<3>}	N(CC[6a]S)(COO)	128.3730	0.000	1	128.3730	0.000	1	128.3730	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(SMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	N(CC[6a]S)(NMoH)	C(C[6a]C[6a]2)(SMo)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(NMoH)	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(SRu)(NN)	C[6a](C[6a]C[6a]H)2(CNS)	N(NC[6a]Ru)(CC[6a]S)	C(C[6a]C[6a]2)(SRu)(NN)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(NC[6a]Ru)(CC[6a]S)	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	117.0178	9.242	380	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NC)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	117.2422	12.992	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NP)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PCl2N)	C(C[6a]C[6a]2)(NP)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PCl2N)	115.5955	0.284	2	115.5955	0.080	2	115.6555	0.875	4	117.2422	12.992	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NP)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PClNN)	C(C[6a]C[6a]2)(NP)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PClNN)	115.7155	1.590	2	115.7155	2.529	2	115.6555	0.875	4	117.2422	12.992	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:	C(C[6a]C[6a]2)(NC[6a])(NS)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SCCO)	C(C[6a]C[6a]2)(NC[6a])(NS)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(SCCO)	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	117.2422	12.992	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(OC)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(OC)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	117.2422	12.992	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	3:4:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OIr)(NC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(OIr)(NC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)	121.2915	0.332	2	121.2915	0.110	2	121.2915	0.110	2	117.2422	12.992	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	4:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NC)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(PC[6a]2Cl)(CC[6a]N)	116.0830	0.000	1	116.0830	0.000	1	116.0830	0.000	1	119.7835	48.118	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	4:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NC)(NS)	C[6a](C[6a]C[6a]H)2(CNN)	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NC)(NS)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]N)	114.5260	0.000	1	114.5260	0.000	1	118.9481	41.916	9	119.7835	48.118	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	4:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]H)2(CNN)	N(SC[6a]NO)(CC[6a]N)	C(C[6a]C[6a]2)(NS)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(SC[6a]NO)(CC[6a]N)	119.5009	6.690	8	119.5009	44.761	8	118.9481	41.916	9	119.7835	48.118	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:2:	3:3:3:	4:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NS)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]O)	131.0030	0.000	1	131.0030	0.000	1	131.0030	0.000	1	119.7835	48.118	11	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:2:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	120.3630	0.000	1	120.3630	0.000	1	120.7447	29.817	3	120.7447	29.817	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:2:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	126.3860	0.000	1	126.3860	0.000	1	120.7447	29.817	3	120.7447	29.817	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:2:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	115.4850	0.000	1	115.4850	0.000	1	120.7447	29.817	3	120.7447	29.817	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.5605	1.952	8	117.5605	3.811	8	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.3074	1.880	7	117.3074	3.533	7	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCO)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	129.8175	0.129	2	129.8175	0.017	2	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CHN)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CHN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.9390	0.000	1	116.9390	0.000	1	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]C)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	126.9607	0.300	4	126.9607	0.090	4	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]Cl)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]Cl)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	126.9530	0.000	1	126.9530	0.000	1	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.0795	4.122	2	124.0795	16.989	2	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(COO)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(COO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	121.1765	1.088	4	121.1765	1.183	4	120.8921	22.396	29	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(NPtH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[5a]C[5a]N[5a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(NPtH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]N)	115.0425	0.238	2	115.0425	0.057	2	115.0425	0.057	2	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(NPtH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6]C[6]N[6])(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(NPtH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]N)	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	124.5320	1.198	2	124.5320	1.435	2	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	127.6900	0.000	1	127.6900	0.000	1	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	126.4586	0.767	7	126.4586	0.588	7	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NFeC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NFeC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	124.4125	0.862	2	124.4125	0.743	2	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	118.6130	0.000	1	118.6130	0.000	1	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	118.4399	0.689	15	118.4399	0.475	15	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)	116.1600	0.103	2	116.1600	0.011	2	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NHP)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NHP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	118.4055	0.213	2	118.4055	0.045	2	121.0979	15.419	32	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:Se-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(SeFe2)	C[6a](C[6a]C[6a]H)2(CSeN)	N(C[6a]C[6a]2)(CC[6a]Se)	C(C[6a]C[6a]2)(NC[6a])(SeFe2)	C[6a](C[6a]C[6a]H)2(CSeN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]Se)	121.6339	3.963	7	121.6339	15.708	7	121.6339	15.708	7	120.7899	18.945	71	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	4:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6])(CNO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	119.8445	0.366	2	119.8445	0.134	2	119.8445	0.134	2	119.8445	0.134	2	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	2:3:3:	3:3:	C[6a]-3:N-2:C-4:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]C)	116.9280	1.042	2	116.9280	1.086	2	116.9280	1.086	2	116.4220	1.311	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	2:3:3:	3:3:	C[6a]-3:N-2:C-4:	N[6a]-2:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	N(N[5]C[5,6]C[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	N(N[5]C[5,6]C[5])(CC[6a]C)	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	116.4220	1.311	3	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C)	122.5000	0.000	1	122.5000	0.000	1	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	122.7490	0.000	1	123.0773	0.086	3	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	123.2415	0.098	2	123.0773	0.086	3	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.8420	0.000	1	117.6112	0.291	4	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.5343	0.634	3	117.6112	0.291	4	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	129.5290	0.000	1	129.5290	0.000	1	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.5467	0.719	3	116.7728	0.531	50	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.2760	0.000	1	116.7728	0.531	50	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.0500	0.683	2	116.7728	0.531	50	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	116.8126	0.721	42	116.7728	0.531	50	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	115.7470	0.692	2	116.7728	0.531	50	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	115.9980	0.000	1	115.9980	0.000	1	117.4391	5.400	60	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(N[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]C)	113.6560	0.000	1	113.6560	0.000	1	113.6560	0.000	1	117.3771	5.544	61	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:2:3:	4:3:	C[6a]-3:N-2:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN)	N(C[5a]C[5a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[5a])(CCHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]2)(CC[6a]C)	116.7480	0.325	2	116.7480	0.106	2	116.7480	0.106	2	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	118.2635	0.168	2	118.2635	0.028	2	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.5927	0.804	3	117.5927	0.647	3	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.2064	0.753	11	118.2064	0.567	11	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.2705	0.874	32	118.1796	1.012	33	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	115.2720	0.000	1	118.1796	1.012	33	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHN)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCHN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.9420	0.000	1	117.9420	0.000	1	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHS)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.8245	0.025	2	117.8245	0.001	2	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CClCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CClCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	125.2025	0.083	2	125.2025	0.007	2	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)	117.7970	0.000	1	117.7970	0.000	1	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.3580	0.000	1	116.2554	0.123	5	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	115.9980	0.000	1	116.2554	0.123	5	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.3070	0.451	3	116.2554	0.123	5	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.8360	0.000	1	117.5965	0.302	11	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.4920	0.000	1	117.5965	0.302	11	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.6927	0.541	9	117.5965	0.302	11	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.3580	0.000	1	116.8798	0.103	4	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.7203	0.042	3	116.8798	0.103	4	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.4780	0.000	1	117.4780	0.000	1	118.0412	2.286	76	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(N[5]C[5]2)(CC[6a]C)	C(C[6a]C[6a]2)(NN[5])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]C)	115.7210	0.000	1	115.7210	0.000	1	115.1700	0.569	3	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(CH3)	C[6a](C[6a]C[6a]H)2(CCN)	N(N[5]C[5,6]C[5])(CC[6a]C)	C(C[6a]C[6a]2)(NN[5])(CH3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(N[5]C[5,6]C[5])(CC[6a]C)	114.3100	0.000	1	114.3100	0.000	1	115.1700	0.569	3	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(CH3)	C[6a](C[6a]C[6a]H)2(CCN)	N(N[5]C[5]2)(CC[6a]C)	C(C[6a]C[6a]2)(NN[5])(CH3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]C)	115.4790	0.000	1	115.4790	0.000	1	115.1700	0.569	3	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(CF3)	C[6a](C[6a]C[6a]H)2(CCN)	N(N[6]C[6]2)(CC[6a]C)	C(C[6a]C[6a]2)(NN[6])(CF3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]C)	133.5300	0.000	1	133.5300	0.000	1	124.5225	162.270	2	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(N[6]C[6]2)(CC[6a]C)	C(C[6a]C[6a]2)(NN[6])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]C)	115.5150	0.000	1	115.5150	0.000	1	124.5225	162.270	2	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[6a])(CH3)	C[6a](C[6a]C[6a]H)2(CCN)	N(N[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NN[6a])(CH3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]C)	114.9037	0.632	3	114.9037	0.400	3	114.9037	0.400	3	117.9341	5.571	87	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	4:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(NC[5])(CF3)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[5]C[5]2Fe)(CC[6a]C)	C(C[6a]C[6a]2)(NC[5])(CF3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]C)	129.2620	0.000	1	129.2620	0.000	1	128.2805	1.927	2	118.2620	18.282	14	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	4:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(NC[5])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(C[5]C[5]2H)(CC[6a]C)	C(C[6a]C[6a]2)(NC[5])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5]2H)(CC[6a]C)	127.2990	0.000	1	127.2990	0.000	1	128.2805	1.927	2	118.2620	18.282	14	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	4:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|F<1>}	N(C[6]C[6]2H)(CC[6a]C)	116.5037	0.302	3	116.5922	0.140	12	116.5922	0.140	12	118.2620	18.282	14	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:2:4:	3:3:3:	4:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	116.6218	0.407	9	116.5922	0.140	12	116.5922	0.140	12	118.2620	18.282	14	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	2:2:3:	3:2:	C[6a]-3:N-3:N-2:	N[6a]-2:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]N[6a]2)(NHH)(NN)	C[6a](N[6a]C[6a])2(CNN)	N(CC[6a]N)(NC)	C(C[6a]N[6a]2)(NHH)(NN)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC)	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	117.3245	0.003	2	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	2:2:3:	3:2:	C[6a]-3:N-3:N-2:	N[6a]-2:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]N[6a]2)(NHH)(NO)	C[6a](N[6a]C[6a])2(CNN)	N(CC[6a]N)(OH)	C(C[6a]N[6a]2)(NHH)(NO)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	117.3640	0.000	1	117.3640	0.000	1	117.3640	0.000	1	117.3245	0.003	2	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	2:3:3:	3:2:	C[6a]-3:N-3:N-2:	N[6a]-2:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN){1|H<1>,2|C<3>}	N(CC[6a]N)(NC)	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(NH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(CNO)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]N[6a])(CNO)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	128.7420	0.000	1	128.7420	0.000	1	128.7420	0.000	1	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC)	126.9510	0.000	1	126.9510	0.000	1	122.8393	41.618	3	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC)	120.7835	7.608	2	120.7835	57.878	2	122.8393	41.618	3	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(OH)	114.4505	1.563	2	114.4505	2.444	2	114.4505	2.444	2	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:S-2:	C(C[6a]C[6a]N[6a])2(NS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(SC[6a])	C(C[6a]C[6a]N[6a])2(NS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(SC[6a])	120.2747	4.745	6	120.2747	22.519	6	120.2747	22.519	6	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC)	117.0506	0.707	5	117.0506	0.500	5	116.8321	0.857	7	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(NC)	116.2860	1.519	2	116.2860	2.307	2	116.8321	0.857	7	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(NHH)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]N[6a])(NHH)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	118.0470	0.297	2	118.0470	0.088	2	117.1600	1.303	4	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(NHH)(NO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]N[6a])(NHH)(NO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(OH)	116.2730	0.820	2	116.2730	0.673	2	117.1600	1.303	4	118.8815	20.169	23	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CCO)(NN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CCO)(NN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	124.6380	0.000	1	124.6380	0.000	1	127.1321	1.063	12	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(COO)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	127.3588	0.701	11	127.3588	0.491	11	127.1321	1.063	12	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	124.0435	0.825	2	124.0435	0.681	2	123.6520	29.810	5	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	127.8065	1.034	2	127.8065	1.070	2	123.6520	29.810	5	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N(CC[6a]C[6])(NReC)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NReC)	114.5600	0.000	1	114.5600	0.000	1	123.6520	29.810	5	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCH)	125.1468	4.571	13	125.1468	20.893	13	122.4887	46.214	26	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]C)	114.9360	0.000	1	114.9360	0.000	1	122.4887	46.214	26	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCH)	120.2545	8.022	10	120.2545	64.354	10	122.4887	46.214	26	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]H)	120.1580	10.759	2	120.1580	115.763	2	122.4887	46.214	26	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	118.5355	0.008	2	118.5355	0.000	2	118.5355	0.000	2	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	123.5480	0.000	1	123.5480	0.000	1	115.5676	12.756	7	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NCuH)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]N[6a])(NCuH)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	113.8205	0.116	4	113.8205	0.013	4	115.5676	12.756	7	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NNiH)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]N[6a])(NNiH)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	115.0715	0.325	2	115.0715	0.105	2	115.5676	12.756	7	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCH)	117.6090	0.000	1	117.6090	0.000	1	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCH)	115.0140	0.838	8	115.0140	0.702	8	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCC)	115.8480	0.000	1	115.8480	0.000	1	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCH)	115.6410	0.000	1	115.6410	0.000	1	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	117.0597	0.680	3	117.0597	0.462	3	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NHH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NHH)	117.1670	0.000	1	117.2065	0.003	2	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NHH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]N)(NHH)	117.2460	0.000	1	117.2065	0.003	2	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NMnC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NMnC)	116.6690	0.936	2	116.6690	0.876	2	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(NCC)	114.5710	0.195	2	114.5710	0.038	2	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(NC[6a]H)	117.3410	0.000	1	117.3410	0.000	1	115.9344	1.512	21	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[6]C[6]2)(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]N)	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	120.6642	36.814	74	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N(CC[6a]2)(CCHH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHH)	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CNN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(N)	C(C[6a]C[6a]2)(CNN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(N)	117.3030	0.000	1	117.3030	0.000	1	117.3280	0.001	2	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(N)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(N)	117.3530	0.000	1	117.3530	0.000	1	117.3280	0.001	2	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(N)	115.5888	0.154	4	115.5888	0.024	4	115.5888	0.024	4	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6,6a]C[6,6a]C[6])2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6,6a]C[6,6a]C[6])2(CC[6a]N){1|C<3>,8|C<4>}	N(CC[6a]2)(N)	117.4080	0.000	1	117.4080	0.000	1	117.4080	0.000	1	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(H)	C(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(H)	122.4220	1.118	3	122.4220	1.250	3	120.5788	4.762	6	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(H)	C(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(H)	118.7357	0.680	3	118.7357	0.463	3	120.5788	4.762	6	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(N)	116.4370	0.000	1	116.4370	0.000	1	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Br)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Br)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(N)	116.9442	0.964	8	116.9442	0.928	8	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(N)	116.4550	0.396	2	116.4550	0.157	2	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|O<2>,3|H<1>}	N(CC[6a]2)(N)	115.6880	0.000	1	115.6880	0.000	1	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(N)	116.4430	0.670	2	116.4430	0.449	2	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(N)	116.3897	1.705	6	116.1257	1.426	13	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|H<1>,2|C<3>}	N(CC[6a]2)(N)	115.9995	0.298	2	116.1257	1.426	13	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	N(CC[6a]2)(N)	115.4890	1.078	2	116.1257	1.426	13	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){3|C<3>}	N(CC[6a]2)(N)	116.1063	0.172	3	116.1257	1.426	13	116.4114	1.080	27	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[4,6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN){1|H<1>,3|C<3>}	N(CC[6a]N)(H)	119.5360	0.335	2	119.5360	0.112	2	119.5360	0.112	2	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNN){1|C<4>,2|C<3>,3|H<1>}	N(CC[6a]N)(H)	125.6380	0.000	1	125.6380	0.000	1	125.6380	0.000	1	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6,6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNN){1|C<4>,2|C<3>,3|H<1>}	N(CC[6a]N)(H)	118.3330	0.000	1	118.3330	0.000	1	118.3330	0.000	1	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:	C(C[6a]C[6a]2)(NCl2)(NCl)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(Cl)	C(C[6a]C[6a]2)(NCl2)(NCl)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(Cl)	130.3210	0.000	1	130.3210	0.000	1	130.3210	0.000	1	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]N)(H)	117.3500	0.000	1	121.9510	15.889	3	120.9165	9.519	11	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)	124.2515	0.158	2	121.9510	15.889	3	120.9165	9.519	11	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NHH)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHH)(NH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)	121.1767	2.997	6	121.1767	8.984	6	120.9165	9.519	11	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NHS)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(NH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)	119.9980	0.000	1	119.9980	0.000	1	120.9165	9.519	11	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NPtO)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NPtO)(NH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)	117.1710	0.000	1	117.1710	0.000	1	120.9165	9.519	11	118.2806	10.430	57	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(NC)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(NC)	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(OH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(OH)	124.7000	0.000	1	124.7000	0.000	1	124.7000	0.000	1	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)2(CC[5a]N)	N(CC[5a]C[6a])(OH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(OH)	112.9820	0.000	1	112.9820	0.000	1	118.1880	49.703	3	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(OC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(OC)	115.3710	0.000	1	115.3710	0.000	1	118.1880	49.703	3	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]N)	N(CC[5a]C[6a])(OC)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(OC)	126.2110	0.000	1	126.2110	0.000	1	118.1880	49.703	3	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	115.7000	0.000	1	115.7000	0.000	1	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NN)	118.8600	0.000	1	118.8600	0.000	1	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	119.2990	0.000	1	119.2990	0.000	1	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	119.5960	1.187	30	119.5960	1.409	30	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	120.3000	0.704	12	120.3000	0.496	12	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]F)2(CCN)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]F)2(CCN){1|C<3>,2|F<1>}	N(CC[6a]C)(NC[6a])	121.7025	1.207	2	121.7025	1.457	2	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a])	122.6624	0.678	11	122.6624	0.459	11	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.6967	0.585	3	116.6967	0.342	3	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	120.9210	0.000	1	120.9210	0.000	1	120.1458	3.202	62	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	113.5062	0.882	6	113.5062	0.778	6	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	114.6370	0.341	2	114.6370	0.116	2	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OS)	126.1090	0.000	1	126.1090	0.000	1	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	120.5146	3.423	5	120.5146	11.717	5	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CNN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CNN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	117.3160	0.000	1	117.3160	0.000	1	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	126.9150	1.331	7	126.9150	1.770	7	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	117.8330	0.000	1	117.8330	0.000	1	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(COO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(COO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	123.5167	4.146	7	123.5167	17.185	7	120.9055	31.807	30	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(OC)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(OC)	118.6560	0.000	1	118.6560	0.000	1	119.5347	0.663	3	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(OH)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(OH)	119.9740	0.409	2	119.9740	0.167	2	119.5347	0.663	3	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(NCr)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCr)	116.3330	0.000	1	116.3330	0.000	1	116.3330	0.000	1	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]2)(CC)	122.7150	0.000	1	122.7150	0.000	1	120.2725	11.932	2	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CC)	117.8300	0.000	1	117.8300	0.000	1	120.2725	11.932	2	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]2)(NC)	126.3870	0.218	2	126.3870	0.047	2	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC)	117.2002	0.616	4	116.9482	0.589	6	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(NC)	117.1670	0.000	1	116.9482	0.589	6	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){2|Cl<1>,1|C<3>}	N(CC[6a]2)(NC)	115.7210	0.000	1	116.9482	0.589	6	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC)	120.2782	4.331	45	120.3799	18.817	46	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	N(CC[6a]2)(NC)	124.9590	0.000	1	120.3799	18.817	46	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC[5])	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[5])	120.2940	6.330	2	120.2940	40.069	2	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC[6a])	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a])	119.8295	2.011	4	119.8295	4.042	4	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NCo)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCo)	119.1088	3.041	4	119.1088	9.247	4	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NCr)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCr)	119.5815	4.168	2	119.5815	17.376	2	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NMo)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NMo)	120.6035	3.522	2	120.6035	12.405	2	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NRu)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NRu)	117.3770	0.704	2	117.3770	0.496	2	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NS)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NS)	120.3542	3.018	6	120.3542	9.109	6	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NV)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NV)	120.2745	4.898	2	120.2745	23.992	2	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC)	113.3920	0.000	1	113.3920	0.000	1	119.9933	15.852	79	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(CC[6a]2)(OH)	114.9330	0.000	1	114.9330	0.000	1	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(OH)	116.8100	0.000	1	116.8100	0.000	1	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N){1|C<3>,1|H<1>}	N(CC[6a]2)(OH)	120.5760	5.801	2	120.5760	33.653	2	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(OC)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]2)(OC)	118.4947	5.053	3	120.1202	21.127	26	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(OC)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(OC)	120.3322	4.613	23	120.1202	21.127	26	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(OH)	125.2210	2.860	2	122.3298	32.793	4	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	N(CC[6a]2)(OH)	119.4385	7.534	2	122.3298	32.793	4	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N){1|C<3>,1|H<1>}	N(CC[6a]2)(OH)	127.1760	0.000	1	127.1760	0.000	1	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(OH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(OH)	124.1420	0.000	1	124.1420	0.000	1	120.4627	22.279	36	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(SC[5a])	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(SC[5a])	120.7525	5.583	2	120.7525	31.166	2	120.6385	26.422	4	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(SC[6a])	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(SC[6a])	120.5245	6.932	2	120.5245	48.049	2	120.6385	26.422	4	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]H)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	116.3060	0.000	1	116.3060	0.000	1	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	117.6690	0.000	1	117.6690	0.000	1	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	115.8595	0.159	2	115.8595	0.025	2	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	118.5400	1.226	2	118.5400	1.503	2	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	N(CC[6a]N)(OC)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OC)	115.6980	0.000	1	115.6980	0.000	1	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(OH)	115.5240	0.000	1	115.5240	0.000	1	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OC)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OC)	114.6710	1.245	11	114.6710	1.550	11	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]N)(OH)	117.0730	0.380	2	117.3130	0.360	19	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)	117.4273	0.574	12	117.3130	0.360	19	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|O<2>}	N(CC[6a]N)(OH)	115.9890	0.000	1	117.3130	0.360	19	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]N)(OH)	117.5240	0.075	2	117.3130	0.360	19	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OH)	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|H<1>,2|C<3>}	N(CC[6a]N)(OH)	117.3185	0.764	2	117.3130	0.360	19	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NNiN)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(ONi)	C(C[6a]C[6a]2)(NNiN)(NO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(ONi)	118.1310	0.468	2	118.1310	0.219	2	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NTiC)(NO)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(OC)	C(C[6a]C[6a]2)(NTiC)(NO)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|F<1>}	N(CC[6a]N)(OC)	120.8900	0.000	1	120.8900	0.000	1	116.6214	2.730	41	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]N)	N(CC[6a]N[6])(OH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	N(CC[6a]N[6])(OH)	113.6420	0.000	1	113.6420	0.000	1	122.0662	31.731	4	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N(CC[6a]N[6])(OH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N(CC[6a]N[6])(OH)	124.8743	0.533	3	124.8743	0.284	3	122.0662	31.731	4	119.6961	15.310	267	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(NCH)	115.9760	0.000	1	115.9760	0.000	1	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(NCH)	113.6550	0.000	1	113.6550	0.000	1	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(NCC)	116.0700	0.000	1	116.0700	0.000	1	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Br<1>,1|C<3>,1|H<1>}	N(CC[5a]C[6a])(NCH)	114.4760	2.399	3	114.8743	2.678	11	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,1|F<1>,1|H<1>}	N(CC[5a]C[6a])(NCH)	113.9480	0.000	1	114.8743	2.678	11	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|C<4>}	N(CC[5a]C[6a])(NCH)	114.5930	0.000	1	114.8743	2.678	11	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(NCH)	115.2593	2.159	3	114.8743	2.678	11	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[5a]C[6a])(NCH)	115.6465	1.675	2	114.8743	2.678	11	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Cl<1>,1|H<1>,1|N<2>}	N(CC[5a]C[6a])(NCH)	114.5770	0.000	1	114.8743	2.678	11	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NC[6a]Ni)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(NC[6a]Ni)	114.0994	0.835	5	114.0994	0.698	5	114.7271	2.016	19	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(C[5]C[5]N[5])(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(CC[5a]C[6a])	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(C[5a]C[5a]N[5a])(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[5a]C[6a])	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(NCH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	125.4360	0.000	1	125.4360	0.000	1	125.4360	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	126.1060	0.663	6	126.1060	0.440	6	126.1060	0.440	6	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CBrC)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CBrC)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)2	115.2200	0.000	1	115.2200	0.000	1	115.4810	11.408	5	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCH)	117.4270	0.000	1	117.4270	0.000	1	115.4810	11.408	5	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6]H)	111.2670	0.000	1	111.2670	0.000	1	115.4810	11.408	5	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)2	113.5190	0.000	1	113.5190	0.000	1	115.4810	11.408	5	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CNS)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CNS)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(COO)	119.9720	0.000	1	119.9720	0.000	1	115.4810	11.408	5	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	117.5658	4.068	4	117.5658	16.546	4	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6]C)	114.6050	0.000	1	114.6050	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	120.6906	3.569	5	120.6906	12.736	5	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	114.7630	0.000	2	114.7630	0.000	2	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	123.4140	1.532	2	123.4140	2.346	2	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCuC)	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCuC)	113.2790	0.000	1	113.2790	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHH)	125.8830	0.000	1	125.8830	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	123.3690	0.000	1	123.3690	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	124.0147	3.579	4	124.0147	12.806	4	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6]Pd)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6]Pd)	112.5070	0.407	2	112.5070	0.166	2	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCoC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCoC)	117.7915	1.076	2	117.7915	1.157	2	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHH)	118.1985	0.468	4	118.1985	0.219	4	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHP)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHP)	118.4845	0.366	2	118.4845	0.134	2	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCC)	118.7630	0.000	1	118.7630	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	122.2023	6.554	3	122.2023	42.955	3	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.2985	0.991	2	115.2985	0.981	2	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHH)	121.8973	5.211	3	121.8973	27.152	3	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	125.8010	0.000	1	125.8010	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	116.6417	1.938	3	116.6417	3.756	3	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	118.3080	0.000	1	118.3080	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	117.2075	1.583	2	121.1252	21.363	4	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NCH)	125.0430	0.433	2	121.1252	21.363	4	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]C)	122.0470	0.000	1	122.0470	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	119.6078	5.774	12	119.6078	33.340	12	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NFeN)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NFeN)	116.4830	0.000	1	116.4830	0.000	1	119.4864	20.966	63	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(COO)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(COO)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(SCO)	119.3985	0.639	2	119.3985	0.408	2	119.3985	0.408	2	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	125.4630	0.741	2	125.4630	0.549	2	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.8390	0.000	1	116.8390	0.000	1	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	116.6330	0.000	1	116.6330	0.000	1	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.3270	0.328	3	118.3270	0.108	3	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	128.9490	0.000	1	128.9490	0.000	1	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.4680	0.000	1	120.4680	0.000	1	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	120.1003	0.401	4	120.1003	0.161	4	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	123.2905	0.351	2	123.2905	0.124	2	121.0519	12.585	15	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(NC[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(NC[5]H)	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	124.9730	0.000	1	124.9730	0.000	1	124.9730	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	125.1555	1.645	2	125.1555	2.707	2	125.1555	2.707	2	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(CCC)	123.8150	0.535	2	123.8150	0.286	2	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCN)	124.2120	0.000	1	124.2120	0.000	1	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCC)	119.9552	3.988	12	119.9552	15.905	12	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCH)	120.8767	3.557	10	120.8767	12.651	10	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCN)	120.1760	4.006	7	120.1760	16.049	7	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CC[6a]H)	120.2168	2.049	4	120.2168	4.198	4	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CC[6a]O)	119.9170	0.000	1	119.9170	0.000	1	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCrC)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCrC)	118.1445	0.722	4	118.1445	0.522	4	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CNO)	120.8165	2.409	2	120.8165	5.804	2	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CN[5a]C)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CN[5a]C)	121.5077	3.920	3	121.5077	15.364	3	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)2	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)2	119.9377	5.554	4	119.9377	30.852	4	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]N)	N(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]N){4|C<3>}	N(CC[6a]2)(CC[6a]O)	123.1640	0.000	1	123.1640	0.000	1	120.4654	12.090	51	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]2)(NCH)	126.3410	0.000	1	126.3410	0.000	1	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]2)(NCH)	126.8130	0.000	1	126.7990	0.000	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCH)	126.7850	0.000	1	126.7990	0.000	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(NCH)	123.9710	0.000	1	123.9710	0.000	1	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(NCH)	116.5025	0.663	2	116.7578	0.496	5	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCH)	117.4450	0.000	1	116.7578	0.496	5	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(NCH)	116.6695	0.962	2	116.7578	0.496	5	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]H)	118.1805	1.421	2	118.1805	2.018	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NB[5]P)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NB[5]P)	120.9290	7.354	4	120.9290	54.084	4	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCH)	120.2683	3.932	51	120.2683	15.459	51	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC[5a]H)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[5a]H)	120.7015	7.056	2	120.7015	49.790	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]C)	120.5810	5.646	8	120.5810	31.873	8	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]H)	122.7015	1.316	2	122.7015	1.732	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NHS)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NHS)	120.1059	3.341	22	120.1059	11.161	22	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NIrH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NIrH)	120.2745	3.197	2	120.2745	10.220	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NSi[4]H)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NSi[4]H)	120.0405	4.615	2	120.0405	21.301	2	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NCH)	115.5032	4.075	13	115.5032	16.604	13	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]C)	125.9030	0.000	1	125.9030	0.000	1	119.8586	18.870	118	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(PCC)	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(PCC)	121.3537	4.241	4	121.3537	17.982	4	121.1765	13.278	6	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(PC[6a]2)	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(PC[6a]2)	120.8220	3.473	2	120.8220	12.064	2	121.1765	13.278	6	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(SCO)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]N){1|H<1>,2|C<3>}	N(CC[6a]2)(SCO)	124.9985	0.223	2	124.9985	0.050	2	121.6811	7.140	10	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(SCO)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(SCO)	124.3190	0.000	1	124.3190	0.000	1	121.6811	7.140	10	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(SCO)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(SCO)	119.9220	1.398	4	119.9220	1.954	4	121.6811	7.140	10	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(SCO)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(SCO)	120.9357	2.769	3	120.9357	7.665	3	121.6811	7.140	10	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)2(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[5a]C[5a]N[5a])(CC[6a]2)	C(C[6a]C[6a]2)2(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]2)	120.5505	5.010	4	120.5505	25.102	4	120.5505	25.102	4	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	116.9910	0.000	1	116.9910	0.000	1	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	117.8280	0.718	2	117.8280	0.516	2	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	124.3720	0.358	2	124.2880	1.416	10	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	124.2670	1.341	8	124.2880	1.416	10	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	116.9970	0.772	2	118.2643	1.113	15	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	118.1730	0.000	1	118.2643	1.113	15	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]2)	118.3065	0.336	2	118.2643	1.113	15	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	119.0489	0.807	7	118.2643	1.113	15	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	117.2780	0.731	2	118.2643	1.113	15	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]2)	117.2860	0.000	1	118.2643	1.113	15	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	120.8780	2.554	4	120.8780	6.524	4	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]2)	120.8919	3.380	8	120.8919	11.424	8	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]2)	121.0786	3.296	8	121.0786	10.864	8	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	120.7189	3.350	62	120.7189	11.225	62	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]O)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]O)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	124.6880	0.525	2	124.6880	0.275	2	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	123.6660	0.000	1	123.6660	0.000	1	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)	124.8730	0.334	2	124.8730	0.111	2	120.8359	10.635	115	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S[5]-3:C-3:	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N)	N(S[5]C[5,6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N){2|H<1>,3|C<3>}	N(S[5]C[5,6a]2)(CC[6a]2)	124.9940	0.000	1	124.9940	0.000	1	120.0727	18.290	6	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S[5]-3:C-3:	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(S[5]C[5,6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(S[5]C[5,6a]2)(CC[6a]2)	119.0884	3.949	5	119.0884	15.596	5	120.0727	18.290	6	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNN)	N(C[5a]N[5a]S[5a])(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNN){1|C<3>,1|H<1>,2|N<2>}	N(C[5a]N[5a]S[5a])(CC[6a]N)	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[3]N)	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[3]N)	119.9930	0.017	2	119.9930	0.000	2	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	124.2240	0.000	1	124.2240	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	120.8265	1.085	2	120.8265	1.178	2	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNO)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNO)	122.0210	5.643	3	122.0210	31.842	3	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	111.1030	0.827	6	111.1030	0.685	6	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	111.7965	0.838	4	111.7965	0.702	4	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	120.2830	0.000	1	120.2830	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	113.5640	0.000	1	113.5640	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)	115.4910	0.000	1	115.4910	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNN)	125.7790	0.000	1	125.7790	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	123.1895	4.484	6	123.1895	20.106	6	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	114.6260	0.000	1	114.6260	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Li)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Li)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	121.7630	0.000	1	121.7630	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]Ni)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	113.1790	0.000	1	113.1790	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CPdN)	C(C[6a]C[6a]2)(NC[6a]Pd)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CPdN)	115.7490	0.000	1	115.7490	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCN)	113.6360	0.000	1	113.6360	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNN)	112.2454	0.584	5	112.2454	0.342	5	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	110.3110	0.000	1	110.3110	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NHH)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NHH)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN){2|H<1>,3|C<3>}	N(CC[6a]N)2	124.3160	0.000	1	124.3160	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NHH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NHH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCN)	116.5879	0.368	10	116.5879	0.135	10	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NHN)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NHN)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	117.3040	0.000	1	117.3040	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NPdH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NPdH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)2	112.8090	0.000	1	112.8090	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NPtH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NPtH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNN)	114.4460	0.556	2	114.4460	0.309	2	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NPtH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CN[5a]N)	C(C[6a]C[6a]2)(NPtH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CN[5a]N)	113.9780	0.396	2	113.9780	0.157	2	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NPtH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NPtH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2	115.1860	0.000	1	115.1860	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NReC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReC)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	112.6020	0.000	1	112.6020	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NReN)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReN)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	113.3055	1.402	10	113.3055	1.967	10	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NTcN)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NTcN)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNS)	113.9170	0.000	1	113.9170	0.000	1	115.9767	21.023	69	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NCC)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NNO)	C(C[6a]C[6a]2)(NCC)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NNO)	124.0170	0.000	1	124.0170	0.000	1	118.9341	24.740	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NCC)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCC)	117.0630	0.000	1	117.0630	0.000	1	118.9341	24.740	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(NCH)	115.9540	0.000	1	115.9540	0.000	1	118.9341	24.740	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCH)	116.2525	0.206	2	116.2525	0.042	2	118.9341	24.740	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NNO)	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NNO)	114.5130	0.000	1	114.5130	0.000	1	118.9341	24.740	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NOO)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]2)(NOO)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	123.7105	7.441	2	123.7105	55.367	2	118.9341	24.740	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PCC)	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PCC)	122.9820	0.000	1	122.9820	0.000	1	119.7565	20.808	2	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:	C(C[6a]C[6a]2)(NSi2)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PC[6a]2)	C(C[6a]C[6a]2)(NSi2)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PC[6a]2)	116.5310	0.000	1	116.5310	0.000	1	119.7565	20.808	2	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[5a]N[5a]S[5a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]N)	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	126.7610	0.000	1	126.7610	0.000	1	122.9704	15.671	16	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	122.4375	3.083	4	122.4375	9.505	4	122.9704	15.671	16	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	123.3950	0.000	1	123.3950	0.000	1	122.9704	15.671	16	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	122.2990	4.789	8	122.2990	22.930	8	122.9704	15.671	16	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Li)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Li)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	121.3470	0.000	1	121.3470	0.000	1	122.9704	15.671	16	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	127.8810	0.000	1	127.8810	0.000	1	122.9704	15.671	16	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NIrO)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Ir)(CC[6a]N)	C(C[6a]C[6a]2)(NIrO)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Ir)(CC[6a]N)	116.8675	0.875	2	116.8675	0.765	2	117.0103	0.444	3	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NRhN)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(NC[6a]Rh)(CC[6a]N)	C(C[6a]C[6a]2)(NRhN)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Rh)(CC[6a]N)	117.2960	0.000	1	117.2960	0.000	1	117.0103	0.444	3	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N[6]-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NN[6])	C[6a](C[6a]C[6a]H)2(CN[5]N)	N(CC[6a]N[5])(N[6]C[6]2)	C(C[6a]C[6a]2)(N[5]C[5]2)(NN[6])	C[6a](C[6a]C[6a]H)2(CN[5]N){1|C<3>,2|H<1>}	N(CC[6a]N[5])(N[6]C[6]2)	117.5700	0.000	1	117.5700	0.000	1	117.5700	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CN[5]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CN[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[5])	129.6534	1.911	8	129.6534	3.650	8	129.6534	3.650	8	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N(CC[6a]N[6])(COO)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N(CC[6a]N[6])(COO)	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	125.9920	0.000	1	126.1508	0.398	4	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	126.2037	0.762	3	126.1508	0.398	4	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	124.1530	0.000	1	125.8881	0.447	10	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	126.0809	0.291	9	125.8881	0.447	10	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	126.5500	0.477	2	126.5500	0.227	2	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	124.5155	1.004	4	124.5155	1.008	4	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	125.3210	0.000	1	125.3210	0.000	1	125.7127	0.842	21	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	N-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)	126.1720	0.000	1	126.1720	0.000	1	126.1720	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]N)	N(CC[6a]N[5])(CNN)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]N){1|C<3>,2|H<1>}	N(CC[6a]N[5])(CNN)	125.8090	0.000	1	125.8090	0.000	1	125.8090	0.000	1	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CN[5]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CN[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[5])	126.5505	0.221	2	126.5505	0.049	2	126.5505	0.049	2	119.9810	21.378	564	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(SC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(SC[6a]CO)	111.0425	0.829	2	111.0425	0.688	2	111.0425	0.688	2	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N)	N(CC[5a]C[6a])(CCHH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(CCHH)	116.0745	0.021	2	116.0745	0.000	2	116.1410	0.013	3	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(CCHH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(CCHH)	116.2740	0.000	1	116.2740	0.000	1	116.1410	0.013	3	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(NNiCH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(NNiCH)	114.4240	0.602	2	114.4240	0.363	2	114.4240	0.363	2	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCC)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCC)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	117.9820	0.000	1	117.9820	0.000	1	118.8525	0.892	11	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	117.5170	0.000	1	117.5170	0.000	1	118.8525	0.892	11	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCCH)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCCH)	119.4472	0.411	6	119.4472	0.169	6	118.8525	0.892	11	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	119.0465	0.523	2	119.0465	0.273	2	118.8525	0.892	11	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CHH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CHH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(CCHH)	117.1030	0.000	1	117.1030	0.000	1	118.8525	0.892	11	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:	C(C[6a]C[6a]2)(CCH)(NSi)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(SiC3)	C(C[6a]C[6a]2)(CCH)(NSi)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(SiC3)	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[4]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:	C(C[6a]C[6a]2)(C[4]C[4]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[4]N)	N(CC[6a]C[4])(SO3)	C(C[6a]C[6a]2)(C[4]C[4]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[4]N){1|C<3>,2|H<1>}	N(CC[6a]C[4])(SO3)	114.2712	0.416	4	114.2712	0.173	4	114.2712	0.173	4	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]N)	N(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]N){1|C<4>,2|C<3>}	N(CC[6a]2)(CCHH)	123.7340	0.000	1	123.7340	0.000	1	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]2)(CCHO)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHO)	124.2830	0.000	1	124.2830	0.000	1	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(CC3)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|C<4>}	N(CC[6a]2)(CC3)	124.1540	0.000	1	124.1540	0.000	1	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(CCCH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|C<4>}	N(CC[6a]2)(CCCH)	123.8140	0.887	2	123.8140	0.786	2	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(CCHO)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]2)(CCHO)	123.4998	0.249	4	123.4998	0.062	4	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(CCCH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCCH)	118.8345	1.087	2	118.8345	1.181	2	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHH)	117.9840	0.525	10	118.5481	3.844	12	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<4>,2|C<3>}	N(CC[6a]2)(CCHH)	121.3685	4.552	2	118.5481	3.844	12	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CC3)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CC3)	115.9540	0.000	1	115.9540	0.000	1	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCCH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCCH)	121.2400	3.831	38	121.2400	14.679	38	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHH)	122.4055	1.824	11	122.4055	3.326	11	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCHO)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHO)	117.6414	1.145	5	117.6414	1.312	5	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCHH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHH)	125.5880	0.000	1	125.5880	0.000	1	120.9794	11.582	79	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NBHH)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NBHH)	120.9197	6.853	4	120.9197	46.957	4	120.9197	46.957	4	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(PRuCC)	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(PRuCC)	121.9990	5.764	2	121.9990	33.228	2	121.9990	33.228	2	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CNN){1|C<4>,1|H<1>,2|C<3>}	N(CC[6a]N)(CCCH)	125.6985	0.008	2	125.6985	0.000	2	125.6985	0.000	2	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CNN){1|H<1>,4|C<3>}	N(CC[6a]N)(CCCH)	126.4245	0.023	2	126.4245	0.001	2	126.4245	0.001	2	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NCC)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NCC)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)	118.1060	0.000	1	118.1060	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NCC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NCC)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)	124.4825	0.691	2	124.4825	0.477	2	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNN){2|H<1>,3|C<3>}	N(CC[6a]N)(CC3)	130.4760	0.000	1	130.4760	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|C<4>}	N(CC[6a]N)(CCCH)	117.9890	0.000	1	117.9890	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NGeC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NGeC)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	126.0745	1.452	2	126.0745	2.107	2	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	127.3113	1.234	6	127.3113	1.523	6	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)	125.4497	0.302	4	125.4497	0.091	4	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSiTh)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSiTh)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	119.0280	0.000	1	119.0280	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	127.2423	1.385	3	127.2423	1.918	3	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)	126.5370	0.000	1	126.5370	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	127.1428	0.302	4	127.1428	0.091	4	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)	125.2330	0.000	1	125.2330	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSi[5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)	123.9243	0.325	4	123.9243	0.106	4	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NSi[6]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[6]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)	127.8380	0.000	1	127.8380	0.000	1	125.5620	8.109	32	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:	C(C[6a]C[6a]2)(NIrC)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NIrCC)	C(C[6a]C[6a]2)(NIrC)(NN)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NIrCC)	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PRuCC)	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PRuCC)	124.3960	0.000	1	124.3960	0.000	1	116.1472	17.591	6	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NC[6a]Co)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PCoCC)	C(C[6a]C[6a]2)(NC[6a]Co)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PCoCC)	114.4130	0.974	2	114.4130	0.949	2	116.1472	17.591	6	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NC[6a]Fe)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PFeCC)	C(C[6a]C[6a]2)(NC[6a]Fe)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PFeCC)	113.4730	0.000	1	113.4730	0.000	1	116.1472	17.591	6	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:	C(C[6a]C[6a]2)(NC[6a]Ni)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PNiCC)	C(C[6a]C[6a]2)(NC[6a]Ni)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(PNiCC)	115.0940	1.892	2	115.0940	3.580	2	116.1472	17.591	6	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:	C(C[6a]C[6a]2)(NSiH)(NSi)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(SiC3)	C(C[6a]C[6a]2)(NSiH)(NSi)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|F<1>}	N(CC[6a]N)(SiC3)	124.8110	0.000	1	124.8110	0.000	1	124.8110	0.000	1	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N)	N(CC[6a]N[6])(CCCH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C[6a](C[6a]C[6a]H)2(CN[6]N){1|C<3>,2|H<1>}	N(CC[6a]N[6])(CCCH)	127.8927	0.805	4	127.8927	0.648	4	127.8927	0.648	4	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:	N[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]N)	N(CC[6a]N[6])(CH3)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	N(CC[6a]N[6])(CH3)	125.3310	0.000	1	125.3310	0.000	1	125.3310	0.000	1	121.4044	20.467	157	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(C[6]C[6]2Fe)(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(C[6]C[6]2Fe)(CC[6a]C[6])	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CC[6a]C)	117.5320	0.000	1	118.2805	1.121	2	119.1300	1.460	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)	119.0290	0.000	1	118.2805	1.121	2	119.1300	1.460	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)	119.5480	0.000	1	119.5480	0.000	1	119.1300	1.460	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6a]C)	120.4110	0.000	1	120.4110	0.000	1	119.1300	1.460	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	118.3397	0.770	4	118.3397	0.593	4	118.3397	0.593	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN)	N(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(PC[6a]2O)(CC[6a]C)	120.4430	1.516	2	120.4430	2.298	2	120.0903	1.522	3	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(PC[6a]2O)(CC[6a]C)	119.3850	0.000	1	119.3850	0.000	1	120.0903	1.522	3	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]CO)(CC[6a]C)	116.4320	0.000	1	116.4320	0.000	1	116.2947	0.496	3	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)	116.9200	0.000	1	116.9200	0.000	1	116.2947	0.496	3	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(CCI)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)	115.5320	0.000	1	115.5320	0.000	1	116.2947	0.496	3	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]N)	N(CC[5a]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]2)	116.6955	0.397	2	116.6955	0.157	2	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[3]CH)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[3]CH)(CC[6a]2)	121.1297	4.399	10	121.1297	19.351	10	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[5]CH)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[5]CH)(CC[6a]2)	120.7200	4.697	4	120.7200	22.059	4	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]2)	120.8423	4.298	6	120.8423	18.470	6	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]2)	121.0834	4.117	8	121.0834	16.950	8	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]C[5]H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]2)	121.3530	5.193	2	121.3530	26.967	2	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]C[6]H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(CC[6a]2)	121.3615	6.626	2	121.3615	43.908	2	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N)	N(CC[5a]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N){1|Cl<1>,1|H<1>,3|C<3>}	N(CC[5a]HH)(CC[6a]2)	126.1265	0.053	2	126.1265	0.003	2	121.0825	17.513	36	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	117.9490	0.000	1	117.9490	0.000	1	121.2122	15.245	6	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	121.9817	4.072	3	121.9817	16.582	3	121.2122	15.245	6	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]2)	121.6895	5.494	2	121.6895	30.179	2	121.2122	15.245	6	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(PC[6a]2Ru)(CC[6a]2)	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(PC[6a]2Ru)(CC[6a]2)	121.8225	6.434	2	121.8225	41.396	2	121.8225	41.396	2	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]2H)(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]N)	127.0660	0.000	1	127.0660	0.000	1	127.0660	0.000	1	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(PC[6a]2Cl)(CC[6a]N)	121.4690	0.000	1	121.4690	0.000	1	120.2930	21.305	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(PC[6a]2Ru)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(PC[6a]2Ru)(CC[6a]N)	124.5120	0.000	1	124.5120	0.000	1	120.2930	21.305	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NCH)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(PC[6a]2Cl)(CC[6a]N)	121.4800	0.000	1	121.4800	0.000	1	120.2930	21.305	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(PC[3x6]2Co)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(PC[3x6]2Co)(CC[6a]N)	113.7110	0.000	1	113.7110	0.000	1	120.2930	21.305	4	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NCC)(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNN)	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNN){2|C<3>}	N(SC[6a]OO)(CC[6a]N)	123.2040	0.000	1	123.2040	0.000	1	119.6095	25.841	2	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NHH)(NS)	C[6a](C[6a]C[6a]H)2(CNN)	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(NS)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]N)	116.0150	0.000	1	116.0150	0.000	1	119.6095	25.841	2	120.4443	15.858	66	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	2:3:3:	3:2:	C[6a]-3:C-4:N-2:	N[6a]-2:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CCHH)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CCHH)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	N(CC[6a]C)(NC)	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	2:3:3:	3:3:	C[6a]-3:C-4:N-2:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	N(CC[6a]C)(NHH)	117.3270	0.000	1	117.3270	0.000	1	116.9655	0.261	2	116.9655	0.261	2	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	2:3:3:	3:3:	C[6a]-3:C-4:N-2:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	N(CC[6a]C)(NReC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	N(CC[6a]C)(NReC)	116.6040	0.000	1	116.6040	0.000	1	116.9655	0.261	2	116.9655	0.261	2	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.1863	0.870	21	116.1863	0.757	21	115.9908	0.931	28	115.9328	0.979	32	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[6])	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6])	116.3340	1.013	3	116.3340	1.027	3	115.9908	0.931	28	115.9328	0.979	32	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC)	114.8600	0.117	2	114.7065	0.067	4	115.9908	0.931	28	115.9328	0.979	32	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|N<2>,1|S<2>}	N(CC[6a]C)(NC)	114.5530	0.305	2	114.7065	0.067	4	115.9908	0.931	28	115.9328	0.979	32	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	116.1273	0.268	3	116.1273	0.072	3	115.5273	1.488	4	115.9328	0.979	32	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]N[6a])(CH3)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]N[6a])(CH3)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	113.7270	0.000	1	113.7270	0.000	1	115.5273	1.488	4	115.9328	0.979	32	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NCH)	114.6300	0.000	1	116.6031	19.699	15	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.9177	3.649	12	116.6031	19.699	15	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NCH)	121.7020	8.232	2	116.6031	19.699	15	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	114.5360	0.000	1	114.5360	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NMnC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NMnC)	115.4210	0.000	1	115.4210	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NSnC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NSnC)	114.5640	0.502	2	114.5640	0.252	2	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	116.9560	0.000	1	116.9560	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NHS)	115.5710	0.629	2	115.5710	0.396	2	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	114.5577	0.572	12	114.5577	0.328	12	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[5]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC[5]H)	113.2090	0.000	1	113.2090	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC[5a]H)	114.5510	0.000	1	114.5510	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC[6a]H)	114.7710	0.000	1	114.7710	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NHH)	114.9220	0.000	1	114.9220	0.000	1	115.4836	8.669	38	115.4836	8.669	38	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	116.8707	0.864	6	116.6637	0.569	9	116.6637	0.569	9	116.6637	0.569	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(CCHH)	116.2497	0.155	3	116.6637	0.569	9	116.6637	0.569	9	116.6637	0.569	9	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:2:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C[5]-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(O)	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCCH)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCCH)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	125.8200	0.000	1	125.8200	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCCS)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCCS)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	115.2555	0.356	2	115.2555	0.127	2	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.7155	0.443	2	116.2640	0.367	4	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NC)	116.0240	0.000	1	116.2640	0.367	4	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){2|Cl<1>,1|C<3>}	N(CC[6a]C)(NC)	115.6010	0.000	1	116.2640	0.367	4	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.6188	0.918	5	116.6188	0.843	5	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CC[5]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CC[5]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a])	115.1720	0.000	1	115.1720	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CC[6]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CC[6]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a])	114.3270	0.000	2	114.3270	0.000	2	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NC)	117.1990	0.000	1	117.1990	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NC)	115.8390	0.000	1	115.8390	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	N(CC[6a]C)(NC)	113.7920	0.000	1	113.7920	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	115.4010	0.000	1	115.4010	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.0070	0.000	1	116.0070	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(NC[5a])	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[5a])	117.8520	0.000	1	117.8520	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.1446	0.729	11	116.0957	0.626	13	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NC)	115.8265	1.425	2	116.0957	0.626	13	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC)	115.7785	0.476	6	115.7785	0.227	6	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]C)(NC)	115.0550	0.000	1	115.7038	0.366	20	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	115.9197	0.660	10	115.7038	0.366	20	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NC)	115.8480	0.062	2	115.7038	0.366	20	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(NC)	115.4470	0.524	7	115.7038	0.366	20	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[5])	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[5])	116.5450	0.256	2	116.5450	0.066	2	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[5a])	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[5a])	115.9563	0.425	3	115.9563	0.180	3	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6])	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6])	115.7622	0.253	4	115.7622	0.064	4	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC)	115.4320	0.000	1	115.4320	0.000	1	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(CHHS)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHHS)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)	116.3560	0.663	2	116.3560	0.440	2	116.0353	1.984	72	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	114.2780	0.000	1	114.2780	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCCN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCCN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	124.8447	0.473	3	124.8447	0.224	3	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(OH)	115.2010	0.000	1	115.2010	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(OH)	114.7370	0.000	1	115.6393	0.620	3	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	116.0905	0.135	2	115.6393	0.620	3	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	115.5610	0.000	1	115.5610	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	115.6820	0.570	2	115.0135	0.744	4	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(OH)	114.3450	0.346	2	115.0135	0.744	4	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CCHO)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCHO)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(OH)	116.4540	0.000	1	116.4540	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[5]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[5]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	114.3830	0.000	1	114.3830	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(OH)	124.3390	0.000	1	124.3390	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C[6a](C[6a]C[6a]C)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|C<4>}	N(CC[6a]C)(OH)	125.3025	0.927	2	125.3025	0.859	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	124.1810	0.417	3	124.1810	0.173	3	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(OH)	115.3780	0.000	1	115.3780	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CClHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CClHH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	117.1385	0.016	2	117.1385	0.000	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CF3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CF3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	129.9380	1.137	2	129.9380	1.293	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	N(CC[6a]C)(OC)	113.4410	0.000	1	113.4410	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(OC)	116.0332	0.615	6	116.0332	0.378	6	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(OC)	115.1920	0.000	1	115.1920	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	114.0780	2.010	2	114.0780	4.038	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	118.0070	0.000	1	118.0070	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	116.0486	0.606	5	116.0486	0.367	5	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	N(CC[6a]C)(OH)	115.8080	0.000	1	115.9330	0.031	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	116.0580	0.000	1	115.9330	0.031	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(OC)	115.2315	0.671	2	114.5784	1.222	10	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	114.4151	1.164	8	114.5784	1.222	10	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC[6a])	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC[6a])	115.7950	0.000	1	115.7950	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]C)(OH)	116.0713	1.145	4	115.8491	0.671	17	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	115.7990	0.790	11	115.8491	0.671	17	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(OH)	115.6800	0.537	2	115.8491	0.671	17	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OP)	C(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OP)	113.9650	0.000	1	113.9650	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CHHN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CHHN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	126.3593	0.652	3	126.3593	0.425	3	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CHHN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CHHN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	115.9190	0.874	3	115.9190	0.764	3	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CHHO)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CHHO)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	114.3750	0.000	1	114.3750	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CHHS)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CHHS)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OC)	115.8640	0.925	2	115.8640	0.855	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CHHS)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CHHS)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	117.5210	1.271	2	117.5210	1.616	2	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN[5]HH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CN[5]HH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(OC)	116.8670	0.000	1	116.8670	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(OH)	116.0770	0.000	1	116.0770	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(OH)	116.5690	0.000	1	116.5690	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	112.1930	0.000	1	112.1930	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(OC)	116.1240	0.000	1	116.1240	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(OH)	115.2260	0.000	1	115.2260	0.000	1	117.1502	15.626	90	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[6]-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(OH)	123.0740	0.946	2	123.0740	0.895	2	123.0740	0.895	2	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(PO3)(NN)	C[6a](C[6a]C[6a]H)2(CNP)	N(CC[6a]P)(NS)	C(C[6a]C[6a]2)(PO3)(NN)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(CC[6a]P)(NS)	126.7920	0.000	1	126.7920	0.000	1	126.7920	0.000	1	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	C[6a](C[6a]C[6a]C)2(CNP)	N(CC[6a]P)(OB)	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	C[6a](C[6a]C[6a]C)2(CNP){1|C<3>,2|H<1>}	N(CC[6a]P)(OB)	117.6970	0.000	1	117.6970	0.000	1	117.7883	0.467	4	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(PC[6a]3)(NO)	C[6a](C[6a]C[6a]C)2(CNP)	N(CC[6a]P)(OB)	C(C[6a]C[6a]2)(PC[6a]3)(NO)	C[6a](C[6a]C[6a]C)2(CNP){1|C<3>,2|H<1>}	N(CC[6a]P)(OB)	117.8187	0.834	3	117.8187	0.695	3	117.7883	0.467	4	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:S-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(OH)	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(OH)	130.1540	0.000	1	130.1540	0.000	1	130.1540	0.000	1	116.8959	11.517	170	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	116.5200	0.441	2	116.5200	0.195	2	116.5200	0.195	2	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(SC[6a]O)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(CC[6a]C)(SC[6a]O)	116.0690	0.000	1	116.9397	1.056	3	116.9397	1.056	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(SC[6a]O)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(CC[6a]C)(SC[6a]O)	116.6770	0.000	1	116.9397	1.056	3	116.9397	1.056	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(SC[6a]O)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,2|C<4>,3|H<1>}	N(CC[6a]C)(SC[6a]O)	118.0730	0.000	1	116.9397	1.056	3	116.9397	1.056	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NSnC)	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	N(CC[6a]C)(NSnC)	115.1730	0.086	2	115.1730	0.007	2	118.5397	34.007	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN){2|H<1>,3|C<3>}	N(CC[6a]C)(NCH)	125.2730	0.000	1	125.2730	0.000	1	118.5397	34.007	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)	115.3400	0.445	2	115.3400	0.198	2	116.2946	2.251	5	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)	116.2380	0.000	1	116.2380	0.000	1	116.2946	2.251	5	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CFHH)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CFHH)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)2	118.8660	0.000	1	118.8660	0.000	1	116.2946	2.251	5	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)2	115.6890	0.000	1	115.6890	0.000	1	116.2946	2.251	5	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	123.4970	0.000	1	123.4970	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCCH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCCH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCC)	125.0640	0.000	1	125.0640	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCCH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCCH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NCH)	122.8500	0.000	1	122.8500	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NHS)	117.3290	0.000	1	117.3290	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NHS)	115.1280	0.000	1	115.1280	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.0230	0.000	1	114.6487	0.118	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	114.3480	0.000	1	114.6487	0.118	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){2|Cl<1>,1|C<3>}	N(CC[6a]C)(NCH)	114.5750	0.000	1	114.6487	0.118	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCC)	117.7345	0.596	2	117.7345	0.355	2	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.1312	0.843	5	115.1312	0.711	5	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	114.9367	0.595	3	114.9367	0.354	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	115.4280	0.408	3	115.4280	0.166	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[5a]CH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5a]CH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	126.2230	0.000	1	126.2230	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	123.8240	0.000	1	123.8240	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	124.4030	0.000	1	124.4030	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NCH)	116.3320	0.000	1	116.3320	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	124.8860	0.000	1	124.8860	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHH)	116.6760	0.000	1	116.6760	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.5633	0.279	3	115.5633	0.078	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[5a]H)	114.5550	0.000	1	114.5550	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CF3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CF3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	N(CC[6a]C)(NC[6a]H)	132.3380	0.000	1	132.3380	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CF3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CF3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	129.7890	0.000	1	129.7890	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CFHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CFHH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	117.2870	0.000	1	117.2870	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(NCH)	115.4750	0.000	1	115.4750	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NCH)	115.5330	0.000	1	115.5330	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	N(CC[6a]C)(NCH)	115.1022	1.750	8	115.1022	3.063	8	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	113.8090	1.342	2	113.8090	1.801	2	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	113.1880	0.000	1	113.1880	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	114.5150	0.000	1	114.5150	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	113.8650	0.000	1	113.8650	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	116.6690	1.510	2	116.6690	2.281	2	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	116.2650	0.000	1	116.2650	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	114.4894	0.395	5	115.4093	0.454	59	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NCH)	115.7490	0.494	3	115.4093	0.454	59	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(NCH)	115.1867	0.285	3	115.4093	0.454	59	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.5360	0.638	46	115.4093	0.454	59	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	114.7210	0.000	1	115.4093	0.454	59	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){2|Cl<1>,1|C<3>}	N(CC[6a]C)(NCH)	114.5160	0.000	1	115.4093	0.454	59	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	115.9097	1.922	3	115.9097	3.695	3	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NHS)	115.8315	0.111	2	115.8118	0.074	5	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	115.5975	0.202	2	115.8118	0.074	5	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NHS)	116.2010	0.000	1	115.8118	0.074	5	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	114.5940	0.000	1	114.5940	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC[6a]H)	115.0599	0.484	7	115.0599	0.234	7	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(NCH)	115.1240	0.000	1	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]C)(NCH)	115.9210	0.000	1	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]C)(NCH)	115.0760	0.809	2	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	115.0783	2.123	80	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	113.9530	0.000	1	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(NCH)	115.5870	0.000	1	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(NCH)	112.7310	0.000	1	115.0544	4.237	87	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[5]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[5]H)	116.5050	0.000	1	116.5050	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[5a]H)	115.2320	0.520	5	115.2320	0.270	5	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]C)(NC[6a]H)	115.1250	0.491	4	115.2512	0.219	31	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(NC[6a]H)	115.5182	0.281	4	115.2512	0.219	31	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	115.3036	0.448	16	115.2512	0.219	31	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(NC[6a]H)	115.3072	0.439	5	115.2512	0.219	31	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	114.4095	0.052	2	115.2512	0.219	31	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHH)	114.2495	2.572	2	114.2495	6.614	2	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NHS)	115.8690	0.000	1	115.8690	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NCH)	114.4360	0.000	1	114.4360	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC[6a]H)	114.9855	0.260	4	114.9855	0.067	4	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)2(CCN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCH)	124.5925	0.261	2	124.5925	0.068	2	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)2(CCN)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]O)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	115.3490	0.000	1	115.3490	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CHHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CHHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6]C)	114.4260	0.000	1	114.4260	0.000	1	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CHHS)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CHHS)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NCC)	116.8805	0.012	2	116.8805	0.000	2	115.6840	6.542	265	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(CC3)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(CC3)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(SCO)	124.4022	1.225	5	124.4022	1.502	5	120.6989	16.963	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(SCO)	115.1980	0.000	1	115.1980	0.000	1	120.6989	16.963	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(CFFH)(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(CFFH)(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(SCO)	116.5450	0.000	1	116.5450	0.000	1	120.6989	16.963	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(CH3)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(CH3)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(SCO)	118.5935	0.272	2	118.5935	0.074	2	120.6989	16.963	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:	C(C[6a]C[6a]2)(CH3)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(CH3)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(SCO)	116.0480	0.000	1	116.0480	0.000	1	120.6989	16.963	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]C)	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	118.0690	0.000	1	118.0690	0.000	1	118.9792	9.104	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.7515	0.987	4	117.7515	0.975	4	118.9792	9.104	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	124.5645	0.228	2	124.5645	0.052	2	118.9792	9.104	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)	117.1960	0.296	3	117.1960	0.088	3	118.9792	9.104	10	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(N[5a]C[5a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]C)	116.0390	0.000	1	116.0390	0.000	1	116.8690	0.767	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C[6a](C[6a]C[6a]H)2(CCN)	N(N[5a]C[5a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6a]C)	117.2840	0.707	2	117.2840	0.500	2	116.8690	0.767	3	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	115.7240	0.000	1	115.7240	0.000	1	115.7240	0.000	1	116.0569	8.099	304	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(CCHH)	126.4110	0.000	1	126.4110	0.000	1	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(CCHH)	123.2200	0.000	1	123.2200	0.000	1	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCHH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	116.2855	0.213	2	116.2855	0.045	2	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(CCCH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCCH)	123.8535	0.428	2	123.8535	0.183	2	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(CCHH)	117.4980	0.331	3	117.4054	0.517	16	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C)(CCHH)	117.7120	0.000	1	117.4054	0.517	16	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	117.7028	0.609	9	117.4054	0.517	16	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]C)(CCHH)	116.3183	0.234	3	117.4054	0.517	16	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)	117.3560	0.000	1	117.3560	0.000	1	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)	117.0510	0.000	1	117.1100	0.007	2	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	N(CC[6a]C)(CCHH)	117.1690	0.000	1	117.1100	0.007	2	118.3988	7.670	25	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]N)	N(CC[6a]C[5])(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2O)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CH3)	124.6750	0.000	1	124.6750	0.000	1	124.6750	0.000	1	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:Ge-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	C[6a](C[6a]C[6a]H)2(CGeN)	N(CC[6a]Ge)(SiC3)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	C[6a](C[6a]C[6a]H)2(CGeN){1|C<3>,2|H<1>}	N(CC[6a]Ge)(SiC3)	124.5345	1.532	2	124.5345	2.348	2	124.5345	2.348	2	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	3:4:	C[6a]-3:P-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(NC)	C[6a](C[6a]C[6a]H)2(CNP)	N(CC[6a]P)(CH3)	C(C[6a]C[6a]2)(PC[6a]2Rh)(NC)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(CC[6a]P)(CH3)	126.0640	0.424	2	126.0640	0.180	2	126.0640	0.180	2	119.5281	13.122	30	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)	123.8560	0.000	1	123.8560	0.000	1	120.8793	10.996	6	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)	123.6605	0.383	2	123.6605	0.146	2	120.8793	10.996	6	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]C)	116.5310	0.000	1	116.5310	0.000	1	120.8793	10.996	6	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)	119.9700	0.000	1	119.9700	0.000	1	120.8793	10.996	6	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]C)	117.5980	0.000	1	117.5980	0.000	1	120.8793	10.996	6	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)	116.0980	0.000	1	116.0980	0.000	1	116.0980	0.000	1	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	3:4:2:	3:3:3:	4:3:	C[6a]-3:Si-4:N-2:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:	C(C[6a]C[6a]2)(SiC3)(NSi)	C[6a](C[6a]C[6a]H)2(CSiN)	N(SiC[5]ClN)(CC[6a]Si)	C(C[6a]C[6a]2)(SiC3)(NSi)	C[6a](C[6a]C[6a]H)2(CSiN){1|C<3>,2|H<1>}	N(SiC[5]ClN)(CC[6a]Si)	125.4190	0.000	1	125.4190	0.000	1	125.4190	0.000	1	120.8491	14.063	8	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:2:	C[3,5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[3,5]N)	N(CC[3,5]C[6a])(OH)	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[3,5]N){1|C<3>,2|H<1>}	N(CC[3,5]C[6a])(OH)	115.2450	1.882	2	115.2450	3.543	2	115.2450	3.543	2	119.7100	40.574	7	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(OH)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(OH)	120.9785	9.364	2	120.9785	87.689	2	121.4960	46.019	5	119.7100	40.574	7	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(OH)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(OH)	125.1570	0.000	1	125.1570	0.000	1	121.4960	46.019	5	119.7100	40.574	7	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(OH)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(OH)	120.1830	8.888	2	120.1830	79.002	2	121.4960	46.019	5	119.7100	40.574	7	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	124.5500	0.000	1	124.5500	0.000	1	123.5674	12.514	20	123.5674	12.514	20	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	124.9774	1.102	16	124.9774	1.214	16	123.5674	12.514	20	123.5674	12.514	20	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	115.7200	1.007	3	115.7200	1.013	3	123.5674	12.514	20	123.5674	12.514	20	120.4528	10.658	7604	120.4528	10.658	7604
930	643	941	0:SP2_SP2_SP2	C	C[6a]	N	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CC[6a]HH)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CC[6a]HH)	124.9205	0.354	2	124.9205	0.126	2	124.9205	0.126	2	124.9205	0.126	2	120.4528	10.658	7604	120.4528	10.658	7604