930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:C-3:S-4:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)(O)2	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCHH)(O)2	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:2:3:	3:4:4:1:	C[6a]-3:S-4:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:O-1:	C(C[6a]C[6a]N[6a])(SCCO)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	S(CC[6a]C)(CH3)2(O)	C(C[6a]C[6a]N[6a])(SCCO)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)2(O)	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	117.9010	0.000	1	117.9010	0.000	1	117.9010	0.000	1	116.6740	3.011	2	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	C[6a](C[6a]C[6a]H)2(CNS)	S(C[6a]C[6a]2)(CC[6a]N)(O)2	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>}	S(C[6a]C[6a]2)(CC[6a]N)(O)2	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	116.6740	3.011	2	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:3:3:	3:4:1:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)(O)2	C(C[6a]C[6a]2)(SCOO)(CC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCHH)(O)2	121.0845	4.191	2	121.0845	17.565	2	121.0845	17.565	2	121.0845	17.565	2	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:3:3:	3:4:4:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS)	S(CC[6a]C)(CH3)2(O)	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)2(O)	119.4500	0.000	1	119.4500	0.000	1	120.8103	1.609	3	120.8103	1.609	3	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:3:3:	3:4:4:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]Cl)2(CCS)	S(CC[6a]C)(CH3)2(O)	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]Cl)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)2(O)	121.9610	0.000	1	121.9610	0.000	1	120.8103	1.609	3	120.8103	1.609	3	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:2:	3:3:3:	3:4:4:1:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CH3)2(O)	C(C[6a]C[6a]2)(SCCO)(CN)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)2(O)	121.0200	0.000	1	121.0200	0.000	1	120.8103	1.609	3	120.8103	1.609	3	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(NN[6])(O)2	C(C[6a]C[6a]2)(SNOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(NN[6])(O)2	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	113.9400	0.000	1	113.9400	0.000	1	113.2115	2.325	6	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	112.4430	1.038	4	112.4430	1.077	4	113.2115	2.325	6	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	115.5570	0.000	1	115.5570	0.000	1	113.2115	2.325	6	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	116.6460	0.000	1	116.6460	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	114.3700	0.000	1	114.3700	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	114.6230	0.000	1	114.6230	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	113.7070	0.000	1	113.7070	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	113.1965	1.206	2	114.4394	2.136	5	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	115.2680	0.985	3	114.4394	2.136	5	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	112.7560	0.000	1	112.7560	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	115.5310	0.000	1	115.5310	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	114.6970	0.000	1	114.6970	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCS){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	116.5350	0.000	1	116.5350	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	118.6970	0.000	1	118.6970	0.000	1	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)(O)2	116.0155	0.541	2	116.0155	0.293	2	115.1119	2.575	16	114.5936	3.143	22	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	S(CC[6a]C)(CCHH)(O)2	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	S(CC[6a]C)(CCHH)(O)2	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.4420	0.359	6	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CH3)(O)2	C(C[6a]C[6a]2)(SCOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)(O)2	117.4478	0.670	5	117.4478	0.449	5	117.4478	0.449	5	117.4420	0.359	6	116.2996	7.752	40	116.2996	7.752	40
930	643	952	0:SP2_SP2_SP3	C	C[6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6a]-3:S-4:S-4:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)2	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)(CF3)(O)2	C(C[6a]C[6a]2)(SCOO)2	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)(CF3)(O)2	119.4350	1.123	2	119.4350	1.261	2	119.4350	1.261	2	119.4350	1.261	2	116.2996	7.752	40	116.2996	7.752	40
930	643	953	0:SP2_SP-NON_SP2	C	C[6a]	I	3:2:3:	3:3:3:	3:3:	C[6a]-3:I-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(IC[6a])(CHO)	C[6a](C[6a]C[6a]H)2(CCI)	I(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(IC[6a])(CHO)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CC[6a]C)	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(H)2	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(CC[6a]N)(H)2	115.8870	0.000	1	115.8870	0.000	1	115.8870	0.000	1	115.8870	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:2:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(CC[6a]O)(H)	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(CC[6a]N)(CC[6a]O)(H)	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:2:3:	3:4:1:	C[6a]-3:N-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(CH3)(H)	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(CC[6a]N)(CH3)(H)	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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(CC[6a]N)(H)2	116.9931	0.673	17	116.9931	0.452	17	116.9931	0.452	17	116.9931	0.452	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNO)(H)	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(CC[6a]N)(CNO)(H)	113.9258	0.391	4	113.9258	0.153	4	113.4080	0.791	6	114.5706	5.200	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNS)(H)	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(CC[6a]N)(CNS)(H)	112.3725	0.530	2	112.3725	0.281	2	113.4080	0.791	6	114.5706	5.200	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(PCC)(H)	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(CC[6a]N)(PCC)(H)	118.0585	0.016	2	118.0585	0.000	2	118.0585	0.000	2	114.5706	5.200	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN)	N(CC[6a]N)(CCHH)(H)	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(CC[6a]N)(CCHH)(H)	113.1030	0.000	1	113.1030	0.000	1	113.6070	0.508	2	113.6070	0.508	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)(H)	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(CC[6a]N)(CCHH)(H)	114.1110	0.000	1	114.1110	0.000	1	113.6070	0.508	2	113.6070	0.508	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNN)	N(CC[6a]N)(CH3)2	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(CC[6a]N)(CH3)2	116.0445	1.197	2	116.0445	1.433	2	116.0445	1.433	2	116.0445	1.433	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	N[6a]-2:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NHH)(O)	C[6a](N[6a]C[6a])2(CNO)	N(CC[6a]O)(H)2	C(C[6a]N[6a]2)(NHH)(O)	C[6a](N[6a]C[6a])2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO){2|C<3>}	N(CC[6a]O)(H)2	115.7270	0.000	1	115.7270	0.000	1	116.1425	0.345	2	116.1425	0.345	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	N(CC[6a]O)(H)2	116.5580	0.000	1	116.5580	0.000	1	116.1425	0.345	2	116.1425	0.345	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(OH)(H)	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCH)(H)	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.1354	0.638	9	115.1354	0.407	9	115.1228	0.364	10	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	115.0090	0.000	1	115.0090	0.000	1	115.1228	0.364	10	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(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)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.6112	0.610	4	113.4956	3.246	14	114.0427	3.678	42	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(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)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	112.6570	0.000	1	113.4956	3.246	14	114.0427	3.678	42	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(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)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(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)(H)	113.5374	2.245	9	113.4956	3.246	14	114.0427	3.678	42	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.4966	0.693	14	114.2879	3.913	27	114.0427	3.678	42	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(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]2)(CC[6a]O)(H)	115.1401	2.538	13	114.2879	3.913	27	114.0427	3.678	42	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.0810	0.000	1	115.0810	0.000	1	114.0427	3.678	42	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.9498	1.062	10	114.9498	1.128	10	114.9498	1.128	10	114.3747	2.875	63	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	117.6395	1.091	2	117.6395	1.190	2	117.6395	1.190	2	118.0760	1.167	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	118.0760	1.167	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	N(CC[6a]O)(CC3)(H)	115.3840	0.000	1	115.3840	0.000	1	115.6739	1.141	11	115.6763	1.126	13	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCCH)(H)	115.2990	0.843	2	115.2990	0.710	2	115.6739	1.141	11	115.6763	1.126	13	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	115.5946	1.136	7	115.5946	1.292	7	115.6739	1.141	11	115.6763	1.126	13	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO){2|C<3>}	N(CC[6a]O)(CCCH)(H)	117.2690	0.000	1	117.2690	0.000	1	115.6739	1.141	11	115.6763	1.126	13	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]O[6a])(NCH)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	N(CC[6a]O)(CCCH)(H)	115.6895	1.449	2	115.6895	2.099	2	115.6895	2.099	2	115.6763	1.126	13	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	116.9570	0.000	1	116.9570	0.000	1	115.9775	1.498	4	115.4638	2.060	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	115.6510	1.268	3	115.6510	1.608	3	115.9775	1.498	4	115.4638	2.060	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	N[6a]-2:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[5]C[5]2Fe)(CC[6a]O)(H)	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	115.4638	2.060	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	O[6a]-2:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]O[6a])(NCH)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	115.8028	1.389	4	115.8028	1.928	4	115.8028	1.928	4	115.4638	2.060	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:N-3:S-1:	N[6a]-2:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS)	N(C[5]C[5,6a]C[5]H)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5]H)(CC[6a]S)(H)	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	115.4638	2.060	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]N[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]N[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	N(CC[6a]O)(H)2	116.5478	0.548	4	116.5478	0.301	4	116.5478	0.301	4	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	117.8500	0.000	1	116.6671	0.599	32	116.4414	0.540	70	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(H)2	117.0450	0.000	1	116.6671	0.599	32	116.4414	0.540	70	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	116.6151	0.765	30	116.6671	0.599	32	116.4414	0.540	70	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	115.3080	0.177	2	115.3080	0.031	2	116.4414	0.540	70	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	115.0385	0.111	2	115.0385	0.012	2	116.4414	0.540	70	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	116.3781	0.561	34	116.3781	0.315	34	116.4414	0.540	70	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]N[6a])(NHH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	115.1440	0.253	2	115.1440	0.064	2	115.1440	0.064	2	116.4128	0.554	76	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.9730	0.000	1	114.9730	0.000	1	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NC)(H)	112.6720	0.000	1	112.6720	0.000	1	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	113.7185	0.947	18	114.2955	1.257	40	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NC)(H)	114.7676	1.044	22	114.2955	1.257	40	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	113.8203	0.737	4	113.8203	0.543	4	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC)(H)	114.0291	1.252	17	113.9714	1.535	18	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	N(CC[6a]O)(NC)(H)	112.9900	0.000	1	113.9714	1.535	18	114.1599	1.293	64	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OH)(H)	115.0785	0.110	2	114.8792	0.354	4	114.8792	0.354	4	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(OH)(H)	114.6800	0.945	2	114.8792	0.354	4	114.8792	0.354	4	114.2022	1.261	68	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCH)(H)	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(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)(H)	114.5470	0.000	1	114.5470	0.000	1	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCC)(H)	114.2840	0.000	1	114.2840	0.000	1	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCH)(H)	113.4000	0.000	1	113.4000	0.000	1	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CHN)(H)	114.2835	0.184	4	115.0400	0.991	12	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CHN)(H)	115.4183	1.026	8	115.0400	0.991	12	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNO)(H)	113.5160	0.000	1	114.6826	1.491	14	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNO)(H)	114.7723	1.222	13	114.6826	1.491	14	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2(H)	112.9838	0.782	4	112.7545	0.880	14	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)2(H)	112.6628	1.017	10	112.7545	0.880	14	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2(H)	112.3313	0.370	3	112.3313	0.137	3	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)2(H)	112.0280	0.117	2	112.0280	0.014	2	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	N(CC[6a]O)(CNN)(H)	113.5990	0.635	2	113.5990	0.403	2	113.9016	2.048	50	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NCH)(H)	113.6870	0.000	1	114.5200	0.453	5	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	114.5070	0.424	3	114.5200	0.453	5	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCH)(H)	115.3920	0.000	1	114.5200	0.453	5	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	116.0810	0.000	1	115.6387	0.371	3	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NHH)(H)	115.4175	0.670	2	115.6387	0.371	3	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NPdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NPdC)(H)	111.6560	0.000	1	111.6560	0.000	1	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(NHH)(H)	114.9760	0.000	1	114.9760	0.000	1	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NCC)(H)	113.7100	0.000	1	113.7100	0.000	1	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NCH)(H)	113.8522	0.333	4	113.8522	0.111	4	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NHH)(H)	116.1890	0.000	1	116.1890	0.000	1	114.4660	1.349	16	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]O)(H)	113.6730	0.000	1	113.6730	0.000	1	115.4386	2.094	7	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]O)(H)	115.8865	2.443	2	115.4453	2.378	4	115.4386	2.094	7	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CC[6a]O)(H)	115.0040	0.621	2	115.4453	2.378	4	115.4386	2.094	7	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	116.3080	0.895	2	116.3080	0.801	2	115.4386	2.094	7	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(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)(H)	113.5690	0.000	1	115.3332	2.076	50	115.1581	2.077	58	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.4507	1.402	47	115.3332	2.076	50	115.1581	2.077	58	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|O<2>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	113.4545	0.719	2	115.3332	2.076	50	115.1581	2.077	58	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	114.0632	0.890	8	114.0632	0.792	8	115.1581	2.077	58	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.4793	1.625	3	113.4793	2.642	3	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	112.5670	0.000	1	112.5670	0.000	1	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.6780	0.000	1	113.6780	0.000	1	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.0920	0.000	1	113.0920	0.000	1	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.7730	0.000	1	113.7730	0.000	1	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.4375	0.223	2	113.4375	0.050	2	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)(H)	113.5880	0.000	1	113.5880	0.000	1	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	115.5770	0.987	4	115.5770	0.974	4	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	114.7590	0.198	2	114.7590	0.039	2	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.6548	0.874	18	113.6339	0.690	20	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.4460	0.198	2	113.6339	0.690	20	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.0515	0.009	2	114.0104	1.203	121	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(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]2)(CC[6a]O)(H)	112.1220	0.146	2	114.0104	1.203	121	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.2480	0.000	1	114.0104	1.203	121	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.6596	0.814	35	114.0104	1.203	121	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.4340	0.171	2	114.0104	1.203	121	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(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)(H)	114.2622	1.145	79	114.0104	1.203	121	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(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)(H)	113.2887	1.162	27	113.7519	1.650	39	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.7942	0.894	12	113.7519	1.650	39	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.8037	0.541	3	113.8037	0.293	3	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.5648	1.104	4	113.5648	1.218	4	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.9385	0.830	54	113.9385	0.688	54	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.2570	1.004	2	114.1227	0.558	3	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.8540	0.000	1	114.1227	0.558	3	113.9262	1.123	260	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]O)(H)	113.8265	1.672	2	113.8265	2.797	2	113.8265	2.797	2	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(N[5a]C[5a]2)(CC[6a]O)(H)	113.9905	0.499	2	113.9905	0.249	2	113.9905	0.249	2	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	111.6655	0.329	2	112.9248	1.328	6	112.9248	1.328	6	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	113.5545	0.769	4	112.9248	1.328	6	112.9248	1.328	6	114.1420	1.645	402	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)3	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)3	117.1880	0.000	1	117.1880	0.000	1	117.1880	0.000	1	118.1870	0.863	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6]C)(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]N)(CC[6a]O)	118.7900	0.000	1	118.7900	0.000	1	118.7900	0.000	1	118.1870	0.863	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]N[6a])(NC[6a]C)(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)(CCO)	119.1430	0.000	1	119.1430	0.000	1	119.1430	0.000	1	118.1870	0.863	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	117.6270	0.000	1	117.6270	0.000	1	117.6270	0.000	1	118.1870	0.863	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.6600	0.000	1	118.5175	1.327	6	118.6236	1.113	8	118.6236	1.113	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(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)(CCHH)	118.8890	0.790	5	118.5175	1.327	6	118.6236	1.113	8	118.6236	1.113	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	119.6080	0.000	1	118.9420	0.887	2	118.6236	1.113	8	118.6236	1.113	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	118.2760	0.000	1	118.9420	0.887	2	118.6236	1.113	8	118.6236	1.113	8	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[5,6,6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	N(CC[6a]O)(CH3)(H)	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6,6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6,6a]N[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]N[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO){1|C<4>,2|H<1>,3|C<3>}	N(CC[6a]O)(CH3)(H)	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCHH)(H)	115.0023	0.996	3	115.0023	0.993	3	115.0023	0.993	3	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){3|C<3>}	N(CC[6a]O)(CCHH)(H)	115.4740	0.000	1	115.4740	0.000	1	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CH3)(H)	115.5060	0.000	1	115.5060	0.000	1	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	115.6110	0.000	1	115.6110	0.000	1	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	113.4830	0.000	1	114.5957	2.347	3	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CC3)(H)	115.1520	1.684	2	114.5957	2.347	3	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	114.4489	1.018	7	114.6843	1.534	13	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCCH)(H)	114.9590	1.506	6	114.6843	1.534	13	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	115.2075	0.532	2	115.3110	0.651	113	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	115.6068	0.746	22	115.3110	0.651	113	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	115.2402	0.816	89	115.3110	0.651	113	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CH3)(H)	115.6785	0.705	6	115.6505	0.322	10	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|S<2>}	N(CC[6a]O)(CH3)(H)	115.6570	0.433	3	115.6505	0.322	10	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CH3)(H)	115.4630	0.000	1	115.6505	0.322	10	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CCCH)(H)	113.8695	0.363	2	113.8695	0.132	2	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N(CC[6a]O)(CH3)(H)	115.2670	0.000	1	115.2670	0.000	1	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	116.4585	0.617	2	116.4585	0.381	2	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	115.3732	0.626	5	115.3732	0.392	5	115.2678	0.765	152	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	N(CC[6a]S)(CCHH)(H)	114.1037	1.265	12	114.1037	1.599	12	114.1037	1.599	12	115.1734	0.899	169	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:2:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]N[6a])(NCN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]N[6a])(NCN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CH3)(NC)	118.5355	0.518	4	118.5355	0.268	4	118.5355	0.268	4	118.5355	0.268	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	117.8380	0.000	1	117.8380	0.000	1	118.0113	0.253	3	118.0113	0.253	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	118.0980	0.679	2	118.0980	0.461	2	118.0113	0.253	3	118.0113	0.253	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO){1|H<1>,4|C<3>}	N(CC[6a]O)(CH3)2	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,2|C<3>}	N(CC[6a]O)(CCHH)2	119.0980	0.544	2	118.6782	0.905	21	118.6862	0.962	25	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(CCHH)2	117.6320	0.768	4	118.6782	0.905	21	118.6862	0.962	25	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)2	118.8780	0.932	13	118.6782	0.905	21	118.6862	0.962	25	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){3|C<3>}	N(CC[6a]O)(CCHH)2	119.0520	0.291	2	118.6782	0.905	21	118.6862	0.962	25	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CH3)2	119.1347	1.223	3	119.1347	1.495	3	118.6862	0.962	25	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N(CC[6a]O)(CH3)2	117.5100	0.000	1	117.5100	0.000	1	118.6862	0.962	25	118.6828	0.923	26	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	114.6195	1.109	2	114.6195	1.231	2	114.6195	1.231	2	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.6300	0.000	1	115.6300	0.000	1	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[3x6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[3x6]HH)(CC[6a]O)(H)	114.6522	0.077	4	114.6522	0.006	4	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[5]CH)(CC[6a]O)(H)	114.9802	1.412	4	114.9802	1.995	4	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(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)(H)	114.1780	1.525	2	114.7323	2.084	3	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[5]HH)(CC[6a]O)(H)	115.8410	0.000	1	114.7323	2.084	3	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	115.8820	0.000	1	115.8820	0.000	1	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6,6]HH)(CC[6a]O)(H)	116.3445	0.688	2	116.3445	0.473	2	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6]HH)(CC[6a]O)(H)	115.3665	0.217	2	115.3665	0.047	2	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	114.2020	0.000	1	114.9806	0.262	10	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	115.0671	0.459	9	114.9806	0.262	10	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.2970	0.000	1	115.6353	0.901	54	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.4944	1.002	5	115.6353	0.901	54	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.9220	0.709	8	115.6353	0.901	54	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	115.5573	0.490	3	115.6353	0.901	54	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	114.8488	1.304	5	115.6353	0.901	54	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(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)(H)	115.7264	0.962	32	115.6353	0.901	54	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]HO)(CC[6a]O)(H)	115.5020	0.000	1	115.5020	0.000	1	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.3850	1.512	3	115.3850	2.285	3	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(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)(H)	115.4820	0.658	6	115.4820	0.433	6	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	114.8560	0.697	2	114.8560	0.486	2	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.0478	0.270	4	115.0478	0.073	4	115.4250	0.838	97	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	114.5018	1.444	10	114.5018	2.085	10	114.5018	2.085	10	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)	114.5863	0.560	3	114.5863	0.313	3	114.5863	0.313	3	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]2Fe)(CC[6a]O)(H)	112.8870	0.000	1	112.8870	0.000	1	114.2903	1.664	3	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	114.9920	0.612	2	114.9920	0.375	2	114.2903	1.664	3	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	114.0657	0.415	3	114.0657	0.172	3	114.7177	0.712	9	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.0043	0.837	3	115.2306	0.598	5	114.7177	0.712	9	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.0190	0.000	1	115.2306	0.598	5	114.7177	0.712	9	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.1210	0.000	1	115.2306	0.598	5	114.7177	0.712	9	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	114.1090	0.000	1	114.1090	0.000	1	114.7177	0.712	9	115.2385	1.025	124	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	119.3210	0.000	1	119.3210	0.000	1	118.2470	2.307	2	118.2470	2.307	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	117.1730	0.000	1	117.1730	0.000	1	118.2470	2.307	2	118.2470	2.307	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:2:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(CCHH)	119.4970	0.421	2	119.4970	0.178	2	119.4970	0.178	2	119.4970	0.178	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	N(CC[6a]O)(H)2	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]O)(H)2	116.4930	0.037	2	116.4930	0.001	2	116.4930	0.001	2	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(H)2	118.5230	0.000	1	118.5230	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(H)2	118.9023	0.847	3	118.9023	0.717	3	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(CC[6a]O)(H)2	116.1060	0.027	2	116.1060	0.001	2	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(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)(H)2	118.1003	0.451	22	118.1003	0.203	22	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	N(CC[6a]O)(H)2	118.5540	0.000	1	118.5540	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(H)2	117.7190	0.000	1	117.7190	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	116.0960	0.000	1	116.0960	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(H)2	117.2030	0.000	1	116.4273	1.014	4	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	116.7620	0.355	2	116.4273	1.014	4	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(H)2	114.9820	0.000	1	116.4273	1.014	4	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	113.2240	0.000	1	113.2240	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	116.4390	0.000	1	116.4390	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	116.8660	0.000	1	116.8660	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<2>,1|C<3>}	N(CC[6a]O)(H)2	120.0230	0.000	1	120.0230	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	116.4360	0.000	1	116.4360	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(H)2	115.6573	2.047	3	116.1275	3.677	4	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	117.5380	0.000	1	116.1275	3.677	4	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	117.8860	2.202	2	117.8860	4.848	2	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(H)2	118.8580	0.000	1	118.3705	1.231	26	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(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)2	118.4012	1.123	24	118.3705	1.231	26	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|N<3>}	N(CC[6a]O)(H)2	117.1460	0.000	1	118.3705	1.231	26	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(H)2	119.8330	0.000	1	119.8136	0.764	54	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(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)(H)2	119.6510	0.000	1	119.8136	0.764	54	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(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)2	119.8080	0.898	51	119.8136	0.764	54	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Se<3>,1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	120.2420	0.000	1	119.8136	0.764	54	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	118.9555	1.015	2	118.9555	1.030	2	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(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)2	117.8667	0.804	105	117.8667	0.646	105	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	116.9180	0.000	1	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(H)2	117.6216	1.601	10	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(H)2	118.4907	0.481	4	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(H)2	118.1650	0.000	1	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	118.4354	0.949	129	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(H)2	117.5898	0.783	9	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	117.0530	0.000	1	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(H)2	118.1540	0.535	2	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(H)2	117.4887	0.796	189	117.8626	0.976	346	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(H)2	116.0150	0.000	1	116.0150	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	115.9160	0.000	1	115.9160	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	116.5760	0.000	1	116.5760	0.000	1	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	118.4230	0.550	2	118.4230	0.303	2	118.0382	1.327	584	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:N-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)(N)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(H)(N)	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNS){2|C<3>}	N(CC[6a]S)(H)2	117.1080	0.000	1	117.1080	0.000	1	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	116.2965	1.155	2	116.2965	1.333	2	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	116.2234	0.978	5	116.2234	0.956	5	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	118.4090	0.000	1	118.4090	0.000	1	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	115.5040	0.000	1	115.5040	0.000	1	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	118.1480	0.363	2	118.1480	0.132	2	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]S)(H)2	117.0160	0.298	2	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]S)(H)2	116.3290	0.486	4	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]S)(H)2	116.6558	0.389	5	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]S)(H)2	116.1235	0.791	2	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	117.1188	0.726	27	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<4>,1|H<1>,1|N<2>}	N(CC[6a]S)(H)2	117.1890	0.000	1	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]S)(H)2	116.5620	0.000	1	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|H<1>,2|C<3>}	N(CC[6a]S)(H)2	116.5130	0.751	2	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|H<1>}	N(CC[6a]S)(H)2	114.5440	0.000	1	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|N<3>}	N(CC[6a]S)(H)2	116.1130	0.000	1	116.8373	0.598	46	116.8197	0.744	58	117.9185	1.405	646	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(OH)(H)	C(C[6a]C[6a]2)(NHO)(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)(H)	126.0900	0.000	1	126.0900	0.000	1	126.0900	0.000	1	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6,6a]C[6a])(NHO)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6,6a]C[6a])(NHO)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]O)(OC)(H)	113.5770	0.000	1	113.5770	0.000	1	113.5770	0.000	1	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,3|C<3>}	N(CC[6a]O)(NC)(H)	115.0410	0.195	2	115.0410	0.038	2	115.0410	0.038	2	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NC)(H)	115.6340	0.912	8	115.6340	0.832	8	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(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)(NC)(H)	115.8170	0.238	2	115.8170	0.056	2	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NC)(H)	116.5501	0.866	14	116.5501	0.751	14	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(NC)(H)	116.8310	0.000	1	116.8310	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(NC)(H)	114.0540	0.420	3	114.0540	0.177	3	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(NC)(H)	116.0670	0.628	2	116.0670	0.394	2	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NC)(H)	114.7822	2.254	10	114.7822	5.080	10	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	117.2900	0.000	1	117.2900	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NH)(H)	114.8360	0.000	1	114.8360	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.5263	2.028	13	114.4903	3.815	14	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.0220	0.000	1	114.4903	3.815	14	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.4147	1.633	18	114.4147	2.667	18	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NH)(H)	115.3350	0.000	1	115.3350	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	118.2560	0.000	1	118.2560	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.2762	0.781	6	114.2762	0.610	6	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.2140	0.000	1	114.2140	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(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)(H)	116.1060	1.671	28	116.1060	2.792	28	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(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[6])(H)	115.6110	0.059	2	115.6110	0.004	2	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(NC)(H)	117.3140	1.138	10	117.2751	0.995	105	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(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)(NC)(H)	116.4703	1.042	3	117.2751	0.995	105	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(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)(H)	117.2971	0.982	92	117.2751	0.995	105	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(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[5])(H)	116.3340	0.907	2	116.3340	0.822	2	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(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[6])(H)	117.4780	0.000	1	117.4780	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|Br<1>,1|C<3>}	N(CC[6a]O)(NC)(H)	116.1680	0.656	3	116.2453	0.802	59	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC)(H)	116.2494	0.911	56	116.2453	0.802	59	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC[5])(H)	114.9170	0.000	1	114.9170	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NC)(H)	116.0623	0.998	12	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(NC)(H)	115.6220	1.021	5	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(NC)(H)	116.3545	0.553	8	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NC)(H)	116.7329	1.270	25	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	116.2144	1.220	285	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NC)(H)	116.0303	1.297	37	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NC)(H)	115.8620	1.325	10	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NC)(H)	115.2538	1.135	5	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC)(H)	115.8640	1.384	209	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(CC[6a]O)(NC)(H)	115.3427	2.178	3	116.0780	1.674	599	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(NC[5])(H)	114.4910	0.000	1	115.6241	1.549	19	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(NC[5])(H)	116.7660	0.000	1	115.6241	1.549	19	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	115.1184	1.213	10	115.6241	1.549	19	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NC[5])(H)	115.8660	0.000	1	115.6241	1.549	19	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	116.4252	1.058	6	115.6241	1.549	19	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5a])(H)	117.5820	0.000	1	117.5820	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6,6])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6,6])(H)	116.1780	0.000	1	116.1780	0.000	1	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6])(H)	117.7270	2.202	7	119.1226	8.525	11	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC[6])(H)	121.5650	2.494	4	119.1226	8.525	11	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]O)(NC)(H)	114.0372	1.280	5	114.0372	1.639	5	116.1579	2.115	917	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(OC)(H)	116.5070	0.000	1	116.5070	0.000	1	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(OH)(H)	115.6220	0.000	1	115.6220	0.000	1	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(OC)(H)	116.6520	0.000	1	114.7500	7.235	2	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OC)(H)	112.8480	0.000	1	114.7500	7.235	2	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OH)(H)	114.1280	0.000	1	114.1280	0.000	1	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OH)(H)	117.7300	0.000	1	117.7300	0.000	1	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	N(CC[6a]O)(OH)(H)	114.6440	0.000	1	114.9140	0.146	2	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){2|Cl<1>,1|C<3>}	N(CC[6a]O)(OH)(H)	115.1840	0.000	1	114.9140	0.146	2	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OH)(H)	117.2970	1.058	3	117.2970	1.119	3	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]O)(OH)(H)	115.5950	0.000	1	116.1893	0.454	3	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OH)(H)	116.9210	0.000	1	116.1893	0.454	3	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(OH)(H)	116.0520	0.000	1	116.1893	0.454	3	115.9839	2.158	14	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(SC[6a])(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(SC[6a])(H)	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	116.1582	2.223	936	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(NOO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OC)2	C(C[6a]C[6a]2)(NOO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OC)2	114.9015	0.520	2	114.9015	0.270	2	114.9015	0.270	2	114.9015	0.270	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:N-3:	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(SN[5])(NCC)	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(SN[5])(NCC)	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(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)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(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)(H)	125.7760	0.000	1	125.7760	0.000	1	125.7760	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCC)(O)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCC)(O)	126.9540	0.264	2	126.9540	0.070	2	126.9540	0.070	2	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[5a]H)(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)(H)	126.8460	0.000	1	126.8460	0.000	1	126.8460	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	124.6910	0.000	1	124.6910	0.000	1	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	124.3220	0.000	1	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	125.6670	0.000	1	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	127.9310	0.552	2	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	123.9730	0.958	3	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	125.1187	1.150	23	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	123.8157	0.946	7	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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]2)(CC[6a]H)(H)	123.7450	0.000	1	124.8936	1.868	38	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	128.1010	0.000	1	125.9280	2.972	4	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	125.2037	1.144	3	125.9280	2.972	4	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N)2(CHN){1|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	129.4910	0.000	1	129.4910	0.000	1	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	128.8100	0.000	1	128.8100	0.000	1	125.1702	2.622	45	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a]O)(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)(O)	126.5190	0.000	1	126.5190	0.000	1	127.0027	0.775	12	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a]O)(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)(O)	126.4397	0.485	3	126.4397	0.235	3	127.0027	0.775	12	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a]O)(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)(O)	127.3409	1.002	7	127.2744	0.896	8	127.0027	0.775	12	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a]O)(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)(O)	126.8090	0.000	1	127.2744	0.896	8	127.0027	0.775	12	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3177	0.126	3	116.3177	0.016	3	116.3177	0.016	3	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.1020	1.011	2	116.1020	1.022	2	116.1020	1.022	2	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.9470	0.799	2	114.9470	0.638	2	114.5548	0.248	6	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.3588	0.216	4	114.3588	0.046	4	114.5548	0.248	6	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(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)(NCH)(H)	113.1360	0.000	1	113.1360	0.000	1	113.1360	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(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]2)(CC[6a]O)(H)	113.5135	0.170	2	113.5135	0.029	2	113.5135	0.029	2	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.0410	0.000	1	115.0410	0.000	1	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.5780	0.000	1	114.5780	0.000	1	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.2480	0.000	1	114.6042	1.420	9	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(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[6a]C[6a]2)(CC[6a]O)(H)	114.7737	1.152	8	114.6042	1.420	9	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(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[6a]C[6a]N[6a])(CC[6a]O)(H)	113.8595	0.831	2	113.8595	0.690	2	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.2490	0.000	1	115.2490	0.000	1	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CNO){1|N<2>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.4050	0.000	1	113.4050	0.000	1	114.4953	1.073	15	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(CC[6a]C)(CC[6a]O)(H)	115.8365	0.371	2	115.8365	0.138	2	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(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)(CNS)(H)	116.9550	0.049	2	116.9550	0.002	2	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	115.9310	0.000	1	115.9310	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCC)(H)	120.0530	0.749	3	120.0530	0.561	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	121.9053	0.246	3	121.9053	0.061	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	114.4146	0.687	14	114.4146	0.472	14	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]C[5])(CC[6a]O)(H)	122.9640	0.000	1	122.9640	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNO)(H)	114.1050	0.000	1	114.1050	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	113.7942	1.116	17	113.7942	1.245	17	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CN[5]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN[5]S)(H)	113.4270	0.000	1	113.4270	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNO)(H)	115.9360	0.000	1	115.9360	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	113.9807	0.547	12	113.9807	0.299	12	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(CNS)(H)	115.9300	0.000	1	115.9701	0.334	8	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	115.9759	0.624	7	115.9701	0.334	8	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSeN)(H)	117.2050	0.000	1	117.2050	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNO)(H)	115.3404	1.744	9	115.3404	3.042	9	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	115.4380	0.000	1	115.4380	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)(H)	118.7800	0.524	4	118.7800	0.274	4	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(H)	115.5770	1.116	3	115.5770	1.245	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)(H)	115.1040	0.000	1	115.1040	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCC)(H)	117.1807	0.620	11	117.1807	0.384	11	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCH)(H)	116.3161	1.045	7	116.3161	1.092	7	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCN)(H)	115.3200	0.000	1	115.3200	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCO)(H)	115.6610	2.401	3	115.6610	5.763	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCS)(H)	114.6570	0.000	1	114.6570	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC[5]H)(H)	116.3170	0.000	1	116.3170	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CHO)(H)	117.8160	0.000	1	117.8160	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNN)(H)	116.5265	0.029	2	116.8367	0.289	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNN)(H)	117.4570	0.000	1	116.8367	0.289	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CNO)(H)	117.3180	0.000	1	116.0736	2.686	14	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNO)(H)	116.0019	1.736	12	116.0736	2.686	14	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNO)(H)	115.6890	0.000	1	116.0736	2.686	14	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CNS)(H)	115.6150	1.306	3	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]O)(CNS)(H)	115.9745	0.969	2	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CNS)(H)	116.6380	0.796	2	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CNS)(H)	115.7030	1.948	3	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	116.2748	1.031	183	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CNS)(H)	116.2953	0.611	3	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CNS)(H)	117.2207	0.977	4	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CNS)(H)	115.6419	0.949	12	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNS)(H)	115.5394	1.227	13	116.1998	1.136	225	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[5]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CN[5]S)(H)	115.6570	0.000	1	115.5620	1.312	5	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[5]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN[5]S)(H)	115.5383	1.321	4	115.5620	1.312	5	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN[6]S)(H)	115.5690	0.000	1	116.2577	0.843	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CN[6]S)(H)	116.6020	0.987	2	116.2577	0.843	3	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(COS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(COS)(H)	116.1795	1.233	6	115.8534	1.566	9	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(COS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(COS)(H)	115.2013	1.226	3	115.8534	1.566	9	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSS)(H)	115.2840	0.136	2	115.2840	0.018	2	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSeN)(H)	116.0923	1.051	4	116.0923	1.104	4	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)2(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2(H)	114.7090	0.000	1	114.7090	0.000	1	116.0293	2.271	376	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(H)	113.8200	0.088	2	113.8200	0.008	2	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCC)(H)	116.2320	0.000	1	116.2320	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCH)(H)	116.8882	0.404	4	116.8882	0.163	4	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(NCH)(H)	115.1700	0.000	1	115.1700	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(NC[6a]H)(H)	116.8975	0.359	2	116.8975	0.129	2	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(NHH)(H)	117.3690	0.211	4	117.3690	0.044	4	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(NHH)(H)	115.8070	0.000	1	115.8070	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	N(CC[6a]O)(NCP)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	N(CC[6a]O)(NCP)(H)	114.6530	0.000	1	114.6530	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(NCH)(H)	113.8755	0.766	4	113.8755	0.587	4	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(NHH)(H)	114.6520	0.000	1	114.6520	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NCH)(H)	114.3200	0.000	1	114.3200	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NHH)(H)	115.8820	0.000	1	115.8820	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	115.4730	0.000	1	115.4730	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	116.2943	2.208	3	116.2943	4.877	3	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	114.7200	0.000	1	114.7200	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(H)	114.4510	0.000	1	114.4510	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	117.2640	0.000	1	117.2640	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]H)(H)	116.5680	0.000	1	116.5680	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	115.6118	1.008	6	115.6118	1.016	6	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(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[6a]H)(H)	115.2620	0.000	1	115.2620	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	115.5187	0.251	3	115.5187	0.063	3	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(H)	116.0500	0.000	1	116.0500	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(NCH)(H)	117.9290	0.000	1	117.2821	0.554	19	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	117.2462	0.748	18	117.2821	0.554	19	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(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[6]H)(H)	116.2970	0.000	1	116.2970	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	118.6697	0.694	6	118.6697	0.481	6	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	114.2250	0.000	1	114.2250	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NHH)(H)	116.8717	1.223	6	116.8717	1.497	6	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(NCC)(H)	116.9790	0.000	1	115.4859	1.469	8	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(H)	115.2607	1.244	6	115.4859	1.469	8	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NCC)(H)	115.3440	0.000	1	115.4859	1.469	8	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(NCH)(H)	115.9385	0.730	2	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NCH)(H)	115.6653	0.308	3	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	116.2017	0.699	41	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(NCH)(H)	116.1190	0.810	2	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NCH)(H)	115.8920	0.362	3	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCH)(H)	115.6570	0.000	1	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NCH)(H)	115.9912	1.132	16	116.0967	0.626	68	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCS)(H)	115.6230	0.000	1	115.6230	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5a]H)(H)	116.3130	0.000	1	116.3130	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6]H)(H)	116.1580	0.256	2	116.1580	0.066	2	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]2)(H)	115.6590	0.000	1	115.6590	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]C)(H)	116.5135	1.337	2	116.5135	1.788	2	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]H)(H)	116.1375	1.316	2	115.9168	1.194	5	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(NC[6a]H)(H)	116.2360	0.000	1	115.9168	1.194	5	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NC[6a]H)(H)	115.5365	1.599	2	115.9168	1.194	5	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCoC)(H)	114.9950	0.000	1	114.9950	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCuC)(H)	113.6860	0.000	1	113.6860	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NHH)(H)	116.9110	0.256	2	116.2875	0.468	81	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(NHH)(H)	117.3610	0.000	1	116.2875	0.468	81	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NHH)(H)	116.6866	0.541	14	116.2875	0.468	81	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NHH)(H)	117.5790	0.882	2	116.2875	0.468	81	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NHH)(H)	114.9730	0.000	1	116.2875	0.468	81	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NHH)(H)	116.1371	0.608	61	116.2875	0.468	81	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NHS)(H)	115.0630	0.100	2	115.0630	0.010	2	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NPtC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NPtC)(H)	115.4200	0.000	1	115.4200	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NReC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NReC)(H)	115.4640	0.408	3	115.4640	0.167	3	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC[6a]C)(H)	111.2280	0.000	1	111.2280	0.000	1	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC[6a]H)(H)	114.2065	0.944	2	114.2065	0.891	2	116.1657	1.238	255	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(SCO)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(SCO)(H)	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]O)(H)	116.3130	0.321	5	116.3130	0.103	5	116.0649	0.287	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(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)(H)	115.7280	0.713	2	115.7280	0.508	2	116.0649	0.287	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(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)(H)	115.5665	0.668	2	115.5665	0.447	2	116.0649	0.287	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]Se[5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]Se[5]C[5])(CC[6a]O)(H)	116.4950	0.000	1	116.4950	0.000	1	116.0649	0.287	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	115.6890	0.629	2	115.6890	0.396	2	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[5a]C[5a]2)(CC[6a]O)(H)	115.9780	0.000	1	115.9780	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	115.8880	0.000	1	115.8880	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	114.0220	0.000	1	114.0220	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]O)(H)	115.5050	0.000	1	115.5050	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	115.2590	0.403	2	115.2590	0.162	2	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	115.4090	0.189	3	115.4090	0.036	3	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]O)(H)	117.8980	0.000	1	117.8980	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	117.6590	0.000	1	116.8100	0.673	3	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	116.3855	0.514	2	116.8100	0.673	3	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	114.5490	0.000	1	114.5490	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	115.6120	0.966	5	115.6120	0.934	5	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]O)(H)	117.3360	0.000	1	117.3360	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	118.3543	0.479	3	118.3543	0.230	3	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	118.5655	0.105	2	117.8392	6.449	6	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	117.4760	3.196	4	117.8392	6.449	6	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	118.4020	0.000	1	118.4020	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5,5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5,5a]N[5a])(CC[6a]O)(H)	116.8690	0.000	1	116.8690	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]O)(H)	116.3780	0.000	1	116.3780	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	115.2192	0.387	5	115.2192	0.150	5	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	116.1610	0.985	3	116.1610	0.970	3	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]O)(H)	115.3305	0.892	2	115.3305	0.795	2	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	118.3525	0.489	2	117.5419	2.002	16	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	117.2623	1.714	10	117.5419	2.002	16	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	117.1590	0.000	1	117.5419	2.002	16	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	117.8590	0.000	1	117.5419	2.002	16	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	118.1625	0.493	2	117.5419	2.002	16	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	116.3400	0.000	1	116.3400	0.000	1	116.6195	2.514	61	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	115.0315	0.056	2	115.0315	0.003	2	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	115.6040	0.000	1	115.6040	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	114.4120	0.000	1	114.4120	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>}	N(C[6]C[6]2)(CC[6a]O)(H)	114.4800	0.000	1	114.4800	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	114.5440	0.000	1	114.5440	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	116.2730	0.000	1	116.2730	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	117.9690	0.000	1	117.4325	0.576	2	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	116.8960	0.000	1	117.4325	0.576	2	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	116.3815	0.114	2	116.3815	0.013	2	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	120.7700	0.000	1	120.7700	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6,6a]2)(CC[6a]O)(H)	115.4010	0.000	1	115.4010	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	116.1904	1.072	15	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.7700	0.000	1	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	116.3365	1.336	2	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.7117	0.593	4	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	114.8865	0.272	2	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.4260	0.000	1	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.5405	1.679	2	115.9417	1.004	27	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	115.4840	0.655	3	116.2090	2.909	5	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	117.2965	2.614	2	116.2090	2.909	5	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(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)(H)	116.6967	0.889	3	116.6967	0.790	3	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	116.8400	0.345	2	116.8400	0.119	2	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]O)2(CNO)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	114.6700	0.000	1	114.6700	0.000	1	116.0605	1.627	51	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(NC[6a]Cl)(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)(Cl)	117.0525	0.795	2	117.0525	0.633	2	117.0525	0.633	2	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.2060	0.000	1	114.2060	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.0505	0.395	2	117.0505	0.156	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.5200	0.000	1	115.5200	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.0028	0.895	13	115.0028	0.801	13	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.6960	0.000	1	113.6960	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.8340	0.000	1	117.8340	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.0060	0.687	8	116.0060	0.472	8	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.4010	0.000	1	117.4010	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1853	0.162	3	117.1853	0.026	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.5078	0.553	18	114.5078	0.305	18	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.7813	0.972	6	114.8872	0.567	11	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.0142	0.446	5	114.8872	0.567	11	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.3590	0.484	2	115.3590	0.234	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)2(CNO){2|H<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.3680	0.000	1	113.3680	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)2(CNO){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.2320	0.000	1	114.2320	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	112.9090	0.000	1	112.9090	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.2560	0.068	2	115.2560	0.005	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.2180	0.000	1	113.2180	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	112.9340	0.365	3	112.9340	0.133	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3140	0.184	2	115.4976	2.414	42	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.7257	1.134	3	115.4976	2.414	42	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.5161	1.609	37	115.4976	2.414	42	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.2740	0.000	1	115.2740	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.6558	1.178	5	114.6558	1.389	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	113.7610	0.000	1	113.7610	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.9780	0.730	2	113.9780	0.533	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.1270	0.250	2	115.1270	0.063	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.4860	0.000	1	115.0546	0.962	21	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.0830	0.997	20	115.0546	0.962	21	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1270	0.554	2	120.1270	0.307	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.2438	0.944	4	114.2438	0.891	4	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.5670	0.000	1	117.5670	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.4767	0.671	7	116.1469	3.666	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.7630	0.180	2	116.1469	3.666	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.9080	0.000	1	116.1469	3.666	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.9319	2.300	20	116.1469	3.666	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.9350	0.409	2	114.5335	0.604	4	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.1320	0.461	2	114.5335	0.604	4	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.3351	0.837	10	115.1247	0.570	22	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.9493	0.664	12	115.1247	0.570	22	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.9183	0.467	3	113.9183	0.218	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.7555	1.334	2	114.7555	1.780	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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,6a]C[6a])(CC[6a]O)(H)	115.2720	1.177	3	115.2720	1.386	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1885	0.390	2	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.3435	2.723	4	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.7947	0.922	4	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.0715	0.323	2	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.4827	0.939	4	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.8938	2.205	41	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9680	0.645	2	116.4167	5.014	59	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.5270	0.483	3	116.4357	3.459	4	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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]N[6a])(CC[6a]O)(H)	119.1620	0.000	1	116.4357	3.459	4	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	116.0715	0.292	2	115.7570	0.339	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	115.1280	0.000	1	115.7570	0.339	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	117.2470	0.004	2	117.8610	1.131	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	119.0890	0.000	1	117.8610	1.131	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	116.7593	1.075	4	117.0120	1.187	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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,6a]C[6a])(CC[6a]O)(H)	118.0230	0.000	1	117.0120	1.187	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.7540	0.438	3	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.6367	1.384	20	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.5048	0.697	10	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.8847	0.733	6	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	117.2901	1.164	24	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	116.5593	0.514	7	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	116.3997	0.762	15	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.0615	2.452	2	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.4940	1.792	2	116.7116	1.234	89	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	116.6280	0.082	2	117.0658	0.463	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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]N[6a])(CC[6a]O)(H)	117.3577	0.776	3	117.0658	0.463	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.3310	0.000	1	114.3310	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.4690	0.000	1	115.4690	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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,6a]C[6a])(CC[6a]O)(H)	114.7830	0.000	1	115.3920	0.742	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	116.0010	0.000	1	115.3920	0.742	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	114.5579	2.718	8	114.9018	3.328	22	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.0983	1.133	14	114.9018	3.328	22	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.1664	0.703	22	116.1664	0.495	22	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	116.5950	1.074	15	116.5950	1.153	15	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6345	0.424	11	119.6345	0.180	11	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.7763	1.102	4	116.5178	4.529	6	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.0010	0.001	2	116.5178	4.529	6	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	114.9757	0.935	3	114.9757	0.874	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	117.2790	0.000	1	117.2790	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	116.3038	0.934	6	116.3038	0.873	6	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	115.9292	1.652	6	115.9292	2.729	6	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	115.4305	0.600	2	115.4305	0.360	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.4740	0.000	1	115.6063	0.891	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.2595	0.844	2	115.6063	0.891	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.7302	0.915	26	115.6063	0.891	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.2130	0.000	1	115.6063	0.891	30	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	113.3970	0.134	2	113.3970	0.018	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.4170	0.000	1	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.5882	1.420	56	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.2824	0.563	22	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.3663	0.429	3	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.8868	0.978	12	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.6076	1.065	7	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3773	1.208	3	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	116.0823	1.042	319	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.5867	0.716	4	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.7598	0.724	12	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.3007	1.417	16	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.4578	0.751	8	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.9447	1.146	25	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.4206	1.229	12	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.6950	2.065	5	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.8316	1.455	7	115.9079	1.278	512	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.4125	1.447	2	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.4545	1.576	2	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	116.3050	0.000	1	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.8143	1.262	4	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.6754	1.458	22	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.4080	0.547	2	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	116.0806	1.082	17	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.0950	0.401	8	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	115.8477	1.095	3	115.6499	1.431	61	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)(H)	118.4827	3.393	3	118.4827	11.516	3	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	116.2670	0.000	1	116.2670	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1095	0.462	2	117.1095	0.213	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.7270	0.000	1	115.7270	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.5450	0.000	1	115.5450	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.7630	0.000	1	114.7630	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.0250	0.000	1	116.0250	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.3610	0.386	2	114.3610	0.149	2	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.1748	2.011	4	116.1748	4.044	4	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.9930	0.000	1	114.9930	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.5460	0.000	1	114.5460	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.0025	0.862	2	114.7610	0.265	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	114.6000	0.247	3	114.7610	0.265	5	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]Se)2(CNO){1|N<2>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.0250	0.000	1	114.0250	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.4939	0.768	19	114.4939	0.591	19	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.4530	0.000	1	115.4530	0.000	1	115.8730	2.041	1131	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(N[5]C[5]2)(CC[6a]O)(H)	114.0140	0.000	1	114.0140	0.000	1	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(N[5]C[5]2)(CC[6a]O)(H)	115.7540	0.000	1	115.7540	0.000	1	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	115.4650	0.000	1	115.4650	0.000	1	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|S<4>}	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	115.6666	1.185	5	115.3037	1.429	8	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	114.6990	1.146	3	115.3037	1.429	8	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(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)(H)	114.7490	1.544	10	114.9606	2.637	11	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(N[5]C[5]2)(CC[6a]O)(H)	117.0770	0.000	1	114.9606	2.637	11	115.1014	1.841	22	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	111.8530	0.000	1	111.8530	0.000	1	115.3904	2.311	14	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(N[5a]C[5a,6]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(N[5a]C[5a,6]C[5a])(CC[6a]O)(H)	117.6550	0.000	1	117.6550	0.000	1	115.3904	2.311	14	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	115.3613	0.824	3	115.3613	0.680	3	115.3904	2.311	14	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	115.1460	1.374	4	115.1460	1.887	4	115.3904	2.311	14	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(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)(H)	115.8580	1.006	5	115.8580	1.013	5	115.3904	2.311	14	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	110.1100	0.000	1	110.1100	0.000	1	114.7685	3.923	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6,6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6]C[6,6]2)(CC[6a]O)(H)	115.1380	0.076	2	115.1380	0.006	2	114.7685	3.923	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(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)(H)	115.7318	1.187	4	115.3284	1.855	7	114.7685	3.923	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(N[6]C[6]2)(CC[6a]O)(H)	114.6780	0.000	1	115.3284	1.855	7	114.7685	3.923	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(N[6]C[6]2)(CC[6a]O)(H)	114.8470	2.316	2	115.3284	1.855	7	114.7685	3.923	10	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	116.6590	0.000	1	116.6590	0.000	1	115.4215	1.505	4	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	116.0550	0.000	1	115.0090	1.237	3	115.4215	1.505	4	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	114.4860	0.912	2	115.0090	1.237	3	115.4215	1.505	4	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CNO)(H)	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	N(CC[6a]S)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(NHH)(H)	116.7730	0.000	1	116.7730	0.000	1	116.7730	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6]C[6]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<7>,2|C<3>}	N(C[6]C[6]2)(CC[6a]S)(H)	114.5110	0.000	1	114.5110	0.000	1	114.5110	0.000	1	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CNS){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	117.1630	0.000	1	117.1630	0.000	1	116.4579	6.940	11	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	113.2850	0.000	1	113.2850	0.000	1	116.4579	6.940	11	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	114.3160	0.000	1	114.5020	0.154	5	116.4579	6.940	11	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	114.6410	0.000	1	114.5020	0.154	5	116.4579	6.940	11	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	114.5177	0.530	3	114.5020	0.154	5	116.4579	6.940	11	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]O)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.5198	0.729	4	119.5198	0.532	4	116.4579	6.940	11	116.2237	4.799	2042	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCH)(OC)	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCH)(OC)	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:S-2:	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(SN)	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(SN)	118.1005	1.945	2	118.1005	3.784	2	118.7253	3.063	3	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:S-2:	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(SO)	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(SO)	119.9750	0.000	1	119.9750	0.000	1	118.7253	3.063	3	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(OH)	118.4210	0.262	2	118.4210	0.068	2	117.7765	2.672	10	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(OH)	117.2730	0.000	1	117.2730	0.000	1	117.7765	2.672	10	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(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)(OH)	119.2250	0.000	1	119.2250	0.000	1	117.7765	2.672	10	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(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)(OC)	117.0690	2.037	5	117.0690	4.148	5	117.7765	2.672	10	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(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)(OH)	119.0800	0.000	1	119.0800	0.000	1	117.7765	2.672	10	118.0034	2.482	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(NC[6a]N)(N)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(N)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	118.2660	0.000	1	118.2660	0.000	1	118.2660	0.000	1	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	116.6110	0.000	1	116.6110	0.000	1	117.7476	0.505	5	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(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[6a]C[6a]2)(CC[6a]O)2	118.0318	0.367	4	118.0318	0.135	4	117.7476	0.505	5	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)2(CC[6a]O)	116.3750	0.000	1	116.3750	0.000	1	117.1618	0.328	5	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(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[6a]C[6a]2)2(CC[6a]O)	117.3585	0.423	4	117.3585	0.179	4	117.1618	0.328	5	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(COO)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(COO)2	116.1377	0.446	4	116.1377	0.199	4	116.6806	0.689	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)2(CC[5]O)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2(CC[5]O)	117.0685	1.323	2	117.0685	1.750	2	116.6806	0.689	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)2(CNO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2(CNO)	117.0625	1.331	2	117.0625	1.773	2	116.6806	0.689	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)3	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)3	116.9965	0.325	2	116.9965	0.105	2	116.6806	0.689	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCO)(NCC)	119.1490	0.931	5	119.1490	0.866	5	119.1490	0.866	5	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]C)(CCC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]C)(CCC)	118.9150	1.580	2	118.9150	2.495	2	118.9150	2.495	2	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CC[6a]O)	115.4830	0.000	1	115.4830	0.000	1	116.8920	1.001	4	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	117.1000	0.000	1	117.1000	0.000	1	116.8920	1.001	4	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)2	117.4925	0.503	2	117.4925	0.253	2	116.8920	1.001	4	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)2	116.7770	0.437	2	116.7770	0.191	2	116.6280	0.273	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6,6a]N[6])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(CC[6a]O)2	117.0230	0.277	2	117.0230	0.077	2	116.6280	0.273	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)2	116.4467	0.573	6	116.4467	0.328	6	116.6280	0.273	10	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)2	118.9687	0.490	3	118.9687	0.240	3	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	120.0395	0.459	2	120.0395	0.211	2	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	120.4750	0.000	1	120.4750	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)2	118.0565	4.026	2	118.0565	16.205	2	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	115.8160	0.000	1	115.8160	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCC)	122.6610	0.000	1	122.6610	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CNN)	120.1680	0.000	1	120.1680	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	118.1610	0.000	1	118.1610	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	118.2510	0.000	1	118.2510	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	117.4940	0.000	1	117.4940	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	118.8400	0.293	2	118.8400	0.086	2	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCC)	116.5320	0.000	1	116.5320	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCO)	116.7320	0.000	1	116.7320	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CC[6a]S)	116.3190	0.000	1	116.3190	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(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)(COO)	118.0270	0.000	1	118.0270	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(COS)	119.8580	0.000	1	119.8580	0.000	1	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(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)2	117.6923	0.190	4	117.3498	0.734	12	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)2	117.1785	1.018	8	117.3498	0.734	12	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(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)2	117.2245	0.296	2	117.2245	0.088	2	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]N[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)2	117.2465	0.428	2	117.2465	0.183	2	118.0652	2.579	37	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(NC[6a]N)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CC[6a]O)	120.5820	0.000	1	120.5820	0.000	1	118.7939	3.221	13	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	119.6930	0.000	1	119.6930	0.000	1	118.7939	3.221	13	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(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,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	120.1335	0.470	2	120.1335	0.221	2	118.7939	3.221	13	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(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,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	120.2400	0.000	1	120.2400	0.000	1	118.7939	3.221	13	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.4700	0.313	2	119.4700	0.098	2	118.7939	3.221	13	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	117.4332	1.823	6	117.4332	3.324	6	118.7939	3.221	13	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	118.0320	1.212	2	118.0320	1.469	2	117.2124	1.067	7	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	117.1710	0.000	1	117.1710	0.000	1	117.2124	1.067	7	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	116.8130	0.992	4	116.8130	0.983	4	117.2124	1.067	7	117.7708	2.255	101	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO)	N(CC[6a]O)2(CCHH)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO){1|H<1>,4|C<3>}	N(CC[6a]O)2(CCHH)	115.4730	0.412	2	115.4730	0.169	2	115.4730	0.169	2	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(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[6a]C[6a]2)(CC[6a]O)(CH3)	117.4585	0.391	2	117.4585	0.153	2	117.4585	0.153	2	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]C)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(CC3)	118.6670	1.181	3	118.6670	1.395	3	118.1803	1.024	12	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]C)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(CCHH)	118.5900	0.000	1	118.5900	0.000	1	118.1803	1.024	12	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(CH3)	118.9280	0.130	2	118.9280	0.017	2	118.1803	1.024	12	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC[6a]P)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC[6a]P)(CH3)	117.8970	0.000	1	117.8970	0.000	1	118.1803	1.024	12	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC[6a]S)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC[6a]S)(CCCH)	117.8500	0.000	1	117.8500	0.000	1	118.1803	1.024	12	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)2(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)2(CCHH)	117.4922	1.208	4	117.4922	1.458	4	118.1803	1.024	12	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]S[5])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(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)(CH3)	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	116.8830	1.203	2	116.8830	1.448	2	117.6446	2.081	7	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]O)(CH3)	118.2848	1.545	4	118.2848	2.388	4	117.6446	2.081	7	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	116.6070	0.000	1	116.6070	0.000	1	117.6446	2.081	7	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.7860	0.000	1	120.7860	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CNO){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.1030	0.000	1	119.1030	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	117.3570	0.000	1	117.3570	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.9350	0.083	2	118.9350	0.007	2	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CH3)	115.7253	0.383	3	115.7253	0.147	3	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	116.7002	0.934	4	116.7002	0.873	4	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCCH)	118.5130	0.387	2	118.5130	0.150	2	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.1640	4.179	2	118.8657	8.999	3	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCHH)	118.2690	0.000	1	118.8657	8.999	3	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CH3)	119.6070	0.000	1	119.6070	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCHH)	121.2750	0.000	1	121.2750	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	121.3183	1.217	6	121.3489	2.140	15	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	121.5341	1.715	8	121.3489	2.140	15	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CH3)	120.0500	0.000	1	121.3489	2.140	15	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCHH)	120.5293	0.582	3	120.5293	0.338	3	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	118.3540	0.000	1	118.3540	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.8860	0.000	1	119.8860	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCCF)	119.4090	0.000	1	119.4090	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCCH)	119.3680	0.916	2	119.2883	0.439	3	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	119.1290	0.000	1	119.2883	0.439	3	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.5233	0.854	6	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.0745	0.134	2	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCHH)	119.1172	1.394	29	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.8814	0.981	16	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	117.5585	0.815	4	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	115.9217	1.186	3	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.8150	1.499	6	117.7982	2.842	66	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CH3)	119.2766	1.173	36	119.0055	2.338	53	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	117.0182	0.875	6	119.0055	2.338	53	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	118.8230	0.000	1	119.0055	2.338	53	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	121.2268	0.753	4	119.0055	2.338	53	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	117.9160	1.710	6	119.0055	2.338	53	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	119.4770	0.000	1	118.6360	1.415	2	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCHH)	117.7950	0.000	1	118.6360	1.415	2	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	117.6860	0.000	1	117.6860	0.000	1	118.6537	3.625	165	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(NC[6a]S)(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)(SCOO)	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]O)(CC[6a]S)(CCCH)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]O)(CC[6a]S)(CCCH)	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	117.4690	1.098	3	117.4690	1.207	3	117.4690	1.207	3	118.4942	3.467	194	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6,6a]C[6a])(NCO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHN)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6,6a]C[6a])(NCO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHN){1|C<4>,1|N<2>,2|C<3>}	N(CC[6a]H)(CC3)(O)	125.9700	0.000	1	125.9700	0.000	1	125.9700	0.000	1	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	N(CC[6a]H)(CH3)(H)	121.9160	0.000	1	121.9160	0.000	1	125.1387	1.556	18	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	126.0010	1.096	2	126.0010	1.201	2	125.1387	1.556	18	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	125.3752	0.846	14	125.2386	0.945	15	125.1387	1.556	18	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	123.3260	0.000	1	125.2386	0.945	15	125.1387	1.556	18	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CC3)(O)	126.1200	0.000	1	126.1200	0.000	1	127.1143	0.516	14	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CC3)(O)	127.3014	0.743	9	127.3014	0.552	9	127.1143	0.516	14	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6a]2)(NCO)(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)(CC3)(O)	126.2650	0.000	1	126.6225	0.256	2	127.1143	0.516	14	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6a]2)(NCO)(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)(CC3)(O)	126.9800	0.000	1	126.6225	0.256	2	127.1143	0.516	14	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCCP)(O)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCCP)(O)	126.9400	0.000	1	126.9400	0.000	1	127.1143	0.516	14	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]H)(CCHH)(O)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CCHH)(O)	127.5820	0.000	1	127.5820	0.000	1	127.1143	0.516	14	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO){1|C<3>,4|C<4>,4|H<1>}	N(CC[6a]O)(CC3)(H)	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>,3|C<4>}	N(CC[6a]O)(CH3)(H)	115.9640	0.000	1	115.9640	0.000	1	116.5740	0.744	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>,3|C<4>}	N(CC[6a]O)(CH3)(H)	117.1840	0.000	1	117.1840	0.000	1	116.5740	0.744	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]C[6a])(NCH)(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(CC[6a]O)(CC3)(H)	117.7235	1.102	2	117.7235	1.215	2	117.7235	1.215	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:N[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	N(CC[6a]O)(CC3)(H)	111.6105	0.886	2	111.6105	0.785	2	111.6105	0.785	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(CNO){2|C<3>,2|C<4>,2|H<1>}	N(CC[6a]O)(CC3)(H)	114.8655	1.459	2	114.8655	2.128	2	114.9357	1.079	3	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|N<2>,1|O<1>,3|C<3>}	N(CC[6a]O)(CH3)(H)	115.0760	0.000	1	115.0760	0.000	1	114.9357	1.079	3	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(CC[6a]O)(CCHH)(H)	115.1970	0.000	1	115.1970	0.000	1	115.1970	0.000	1	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CC3)(H)	114.9200	0.000	1	114.9200	0.000	1	115.0470	0.032	4	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCHP)(H)	115.2960	0.000	1	115.2960	0.000	1	115.0470	0.032	4	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(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)(CC3)(H)	114.9150	0.000	1	114.9150	0.000	1	115.0470	0.032	4	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	115.0570	0.000	1	115.0570	0.000	1	115.0470	0.032	4	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(NClC)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(CC[6a]O)(CC3)(Cl)	C(C[6a]C[6a]2)(NClC)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(Cl)	116.4120	0.000	1	116.4120	0.000	1	116.4120	0.000	1	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CNO){2|O<2>,3|C<3>}	N(CC[6a]O)(CCCH)(H)	116.9210	0.000	1	116.9210	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|N<2>}	N(CC[6a]O)(CCHH)(H)	119.0250	0.000	1	118.1685	1.078	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	N(CC[6a]O)(CCHH)(H)	118.9380	0.000	1	118.1685	1.078	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCHH)(H)	116.8140	0.000	1	118.1685	1.078	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|S<2>}	N(CC[6a]O)(CCHH)(H)	117.8970	0.000	1	118.1685	1.078	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	114.9950	0.000	1	114.9950	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	115.4010	0.000	1	115.4010	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CC3)(H)	113.4675	1.023	2	113.4675	1.047	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CC3)(H)	116.1460	0.000	1	116.1460	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(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)(CCCH)(H)	115.6547	0.463	3	115.6547	0.214	3	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(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)(CCHH)(H)	117.1165	0.120	2	117.1165	0.014	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(CC3)(H)	116.8730	0.848	4	116.8730	0.720	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(CCHH)(H)	117.4128	0.754	6	117.4128	0.569	6	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CC3)(H)	115.0470	0.000	1	115.0470	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCHH)(H)	117.4940	0.000	1	117.4940	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CH3)(H)	115.8370	0.000	1	115.8370	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CNO){1|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)(H)	116.6967	0.476	4	116.6967	0.227	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	116.5781	1.180	8	116.5781	1.391	8	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	115.4838	0.969	5	115.4838	0.940	5	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	115.1541	1.489	9	115.3136	2.226	10	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	116.7490	0.000	1	115.3136	2.226	10	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(H)	116.3830	0.000	1	116.3830	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	115.4750	0.710	4	115.4750	0.504	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	113.8260	0.000	1	113.8260	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	115.7470	0.000	1	115.7470	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(H)	116.7080	0.000	1	116.7080	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(CCHH)(H)	115.0418	0.812	10	115.2166	0.930	11	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	116.9650	0.000	1	115.2166	0.930	11	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	116.8137	2.406	3	116.8137	5.788	3	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	116.0872	1.265	4	116.0872	1.600	4	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CCCH)(H)	116.5520	0.000	1	117.2297	0.919	7	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	117.3427	0.998	6	117.2297	0.919	7	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	117.3803	1.329	6	116.9663	2.672	7	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCHH)(H)	114.4820	0.000	1	116.9663	2.672	7	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CH3)(H)	116.1395	1.194	6	116.3974	1.334	8	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(H)	117.1710	0.788	2	116.3974	1.334	8	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|N<3>}	N(CC[6a]O)(CC3)(H)	117.4170	0.000	2	117.4170	0.000	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	118.8830	1.499	3	118.8830	2.246	3	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	115.6380	0.000	1	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCHH)(H)	117.9922	0.347	4	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	119.2612	0.843	5	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|C<4>}	N(CC[6a]O)(CCHH)(H)	119.2223	0.178	4	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	118.3235	1.327	17	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	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)(CCHH)(H)	117.5217	1.777	4	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,1|N<3>,1|O<1>}	N(CC[6a]O)(CCHH)(H)	118.0635	0.353	2	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	118.8105	0.329	2	118.3625	1.568	39	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|N<3>}	N(CC[6a]O)(CH3)(H)	116.7950	0.000	1	116.1685	0.785	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CH3)(H)	115.5420	0.000	1	116.1685	0.785	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	113.5450	0.577	2	113.5450	0.333	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(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]O)(CC3)(H)	118.9804	2.032	5	118.9804	4.127	5	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	118.8850	0.000	1	118.8850	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(H)	117.0505	0.552	2	117.0505	0.305	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	N(CC[6a]O)(CCCH)(H)	116.6450	0.154	2	116.6450	0.024	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	116.8937	0.834	12	116.8937	0.696	12	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(CH3)(H)	115.5390	0.000	1	115.5390	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(H)	115.8440	0.000	1	115.8440	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CC3)(H)	118.0070	0.000	1	116.4023	1.410	21	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CC3)(H)	117.2730	0.237	3	116.4023	1.410	21	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	116.5216	0.959	12	116.4023	1.410	21	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CC3)(H)	116.5560	0.000	1	116.4023	1.410	21	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CC3)(H)	114.4457	0.847	3	116.4023	1.410	21	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){2|Cl<1>,1|C<3>}	N(CC[6a]O)(CC3)(H)	116.4710	0.000	1	116.4023	1.410	21	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]O)(CCCH)(H)	116.7460	0.000	1	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCCH)(H)	117.2638	0.941	5	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CCCH)(H)	117.2540	0.000	1	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|P<4>}	N(CC[6a]O)(CCCH)(H)	117.8880	1.102	4	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(CC[6a]O)(CCCH)(H)	116.6500	1.309	4	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(CCCH)(H)	117.1820	0.000	1	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	116.7091	1.295	76	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCCH)(H)	116.5502	0.955	18	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CCCH)(H)	116.8123	0.202	3	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	115.8790	0.000	1	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){2|Cl<1>,1|C<3>}	N(CC[6a]O)(CCCH)(H)	115.2310	0.000	1	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(CC[6a]O)(CCCH)(H)	117.4093	1.374	14	116.8119	1.521	129	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]O)(CCHH)(H)	115.4100	0.000	1	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCHH)(H)	116.5997	1.169	17	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CCHH)(H)	117.3760	0.000	1	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(CC[6a]O)(CCHH)(H)	116.9410	0.000	1	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	117.4422	1.136	95	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCHH)(H)	117.0354	1.220	21	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CCHH)(H)	117.3145	0.609	2	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	117.1385	0.839	15	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	116.7005	1.383	40	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|I<1>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	115.5920	0.058	2	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	117.1102	0.418	15	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|N<3>}	N(CC[6a]O)(CCHH)(H)	115.6830	0.537	2	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<3>,2|C<3>}	N(CC[6a]O)(CCHH)(H)	117.9790	0.000	1	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(CC[6a]O)(CCHH)(H)	116.9699	1.083	29	117.0897	1.361	242	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHN)(H)	116.8600	0.000	1	116.8600	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHP)(H)	116.5390	0.000	1	116.5390	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CH3)(H)	117.8640	0.000	1	116.8660	4.743	17	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]O)(CH3)(H)	117.5620	0.000	1	116.8660	4.743	17	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(H)	116.6616	2.473	13	116.8660	4.743	17	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(CH3)(H)	117.3475	0.204	2	116.8660	4.743	17	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CHHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CHHP)(H)	117.9100	0.000	1	117.9100	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CHHS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CHHS)(H)	116.8320	0.000	1	116.8320	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCCH)(H)	116.6460	1.055	2	116.6460	1.113	2	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNO){1|C<4>,2|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	118.2830	0.000	1	118.2830	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CH3)(H)	118.7120	0.000	1	118.7120	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]O)(CH3)(H)	115.5890	0.000	1	115.5890	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CNO){4|C<3>}	N(CC[6a]O)(CCCH)(H)	116.4590	0.000	1	116.4590	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	116.4510	0.000	1	116.4510	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	115.4850	0.000	1	115.4850	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCCH)(H)	114.6710	0.000	1	114.6710	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCHH)(H)	116.7480	0.000	1	116.7480	0.000	1	116.9292	1.905	598	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NBHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NBHH)(H)	115.9210	0.000	1	115.9210	0.000	1	116.4555	0.571	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NH3)(H)	116.9900	0.000	1	116.9900	0.000	1	116.4555	0.571	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]Cl)2(CNO)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(PNNO)(H)	113.8585	1.045	8	113.8585	1.093	8	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(PNNO)(H)	115.4447	1.015	3	115.4447	1.030	3	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(PNNO)(H)	115.5585	1.268	13	115.5585	1.608	13	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]O)(PNNO)(H)	117.2333	1.008	3	117.3817	0.630	11	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(PNNO)(H)	117.7640	0.000	1	117.3817	0.630	11	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(PNNO)(H)	117.3907	0.822	7	117.3817	0.630	11	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(PO3)(H)	116.8460	0.000	1	116.8460	0.000	1	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(POOS)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(POOS)(H)	117.8950	0.990	2	117.8950	0.980	2	115.8763	2.831	38	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(SNOO)(H)	117.4210	0.000	1	117.4210	0.000	1	114.5070	2.743	8	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(SCOO)(H)	114.4013	0.697	4	114.4013	0.486	4	114.5070	2.743	8	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(CC[6a]O)(SCOO)(H)	112.1670	0.000	1	112.1670	0.000	1	114.5070	2.743	8	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(SCOO)(H)	113.0670	0.000	1	113.0670	0.000	1	114.5070	2.743	8	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(SCOO)(H)	115.7960	0.000	1	115.7960	0.000	1	114.5070	2.743	8	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(NSiH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(SiC3)(H)	119.3480	0.225	2	119.3480	0.051	2	119.3480	0.051	2	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	N(CC[6a]O)(CCHH)(H)	114.3470	0.232	2	114.3470	0.054	2	113.9520	0.495	3	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO){1|C<4>,1|O<1>,3|C<3>}	N(CC[6a]O)(CC3)(H)	113.1620	0.000	1	113.1620	0.000	1	113.9520	0.495	3	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CCHH)(H)	116.0192	0.658	4	116.1566	0.419	5	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|H<1>}	N(CC[6a]S)(CCHH)(H)	116.7060	0.000	1	116.1566	0.419	5	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CH3)(H)	115.7260	0.000	1	115.1157	0.433	3	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|N<2>,2|N<3>}	N(CC[6a]S)(CH3)(H)	114.8105	0.555	2	115.1157	0.433	3	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNS){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N(CC[6a]S)(CH3)(H)	115.4610	0.694	4	115.4610	0.481	4	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS)	N(CC[6a]S)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CC3)(H)	113.0665	0.216	2	113.0665	0.047	2	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CCHH)(H)	114.8830	0.000	1	114.8830	0.000	1	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS)	N(CC[6a]S)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]O)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CH3)(H)	114.0730	0.000	1	114.0730	0.000	1	115.1914	1.292	16	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(Se)	C[6a](C[6a]C[6a]H)2(CSeN)	N(CC[6a]Se)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(Se)	C[6a](C[6a]C[6a]H)2(CSeN){1|C<3>,2|H<1>}	N(CC[6a]Se)(CCHH)(H)	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	117.1792	5.991	717	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)(ONi)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CC3)(ONi)	125.5812	0.296	4	125.5812	0.088	4	126.3038	0.647	9	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CC3)(OPd)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]H)(CC3)(OPd)	126.8558	0.615	4	126.8558	0.379	4	126.3038	0.647	9	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CC3)(OPd)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CC3)(OPd)	126.9860	0.000	1	126.9860	0.000	1	126.3038	0.647	9	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[5,6a]C[6a])(NCO)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(OC)	C(C[6a]C[5,6a]C[6a])(NCO)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N(CC[6a]O)(CH3)(OC)	117.9945	0.862	2	117.9945	0.743	2	117.9945	0.743	2	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(NC)	121.6885	0.984	2	121.6885	0.967	2	119.4190	4.633	6	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(NC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(NC)	119.8740	0.000	1	119.8740	0.000	1	119.4190	4.633	6	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(NC)	117.7543	1.299	3	117.7543	1.688	3	119.4190	4.633	6	122.8963	15.887	17	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:C-3:	C(C[6a]C[6a]2)(NC[6a]B)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a]B)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	132.1370	0.000	1	132.1370	0.000	1	132.1370	0.000	1	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CC3)(CCO)	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]O)(CC3)(CCO)	116.7030	0.000	1	116.7030	0.000	1	116.7030	0.000	1	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(CCO)	120.0610	0.000	1	120.0610	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCCH)(COO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(COO)	116.1040	0.000	1	116.1040	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(CCHH)(CNN)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CNN)	122.0240	0.000	1	122.0240	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(CCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(CCH)	119.4070	0.000	1	119.4070	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(CNN)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(CNN)	119.3200	0.000	1	119.3200	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(CNO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(CNO)	118.2840	0.000	1	118.2840	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(CCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CCH)	120.0170	0.000	1	120.0170	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CCO)	118.6653	0.984	3	118.3150	1.136	4	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(CCO)	117.2640	0.000	1	118.3150	1.136	4	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(CNO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CCHH)(CNO)	117.2450	0.000	1	117.2450	0.000	1	118.8102	2.582	12	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(NCS)	119.6990	0.000	1	119.6990	0.000	1	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(CC3)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|C<4>}	N(CC[6a]O)(CC3)(NCH)	117.4470	0.000	1	117.4470	0.000	1	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(CC[6a]O)(CC3)(NCC)	117.9070	0.000	1	117.9070	0.000	1	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(NCH)	118.4360	0.000	1	118.4360	0.000	1	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(CC[6a]O)(CC3)(NCS)	118.2285	0.377	2	118.7010	0.741	3	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(NCS)	119.6460	0.000	1	118.7010	0.741	3	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(NCC)	119.3940	0.000	1	119.3940	0.000	1	118.6232	0.740	8	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S-4:C-3:	C(C[6a]C[6a]2)(NC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2)(SC[6a]OO)(CC[6a]O)	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	116.4505	0.504	2	116.4505	0.254	2	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	120.5570	0.000	1	120.5570	0.000	1	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	119.3180	0.000	1	119.3180	0.000	1	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	120.7910	0.000	1	120.7910	0.000	1	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	119.5740	0.000	1	119.5740	0.000	1	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(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[3]HH)(CC[6a]O)	121.9760	0.000	1	121.9760	0.000	1	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	119.0535	0.406	4	119.0535	0.165	4	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	118.8690	0.000	1	118.8690	0.000	1	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	118.0555	0.217	2	118.0555	0.047	2	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	118.8327	1.744	3	118.3983	2.783	4	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	117.0950	0.000	1	118.3983	2.783	4	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	118.6147	0.617	3	118.6147	0.380	3	118.8451	2.051	21	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	C[6a](C[6a]C[6a]H)2(CNO){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	117.7710	0.000	1	117.7710	0.000	1	117.7710	0.000	1	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	116.0480	0.000	1	116.0480	0.000	1	116.1165	0.257	4	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]S)(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)(SC[6a]OO)(CC[6a]O)	115.8565	0.534	2	115.8565	0.285	2	116.1165	0.257	4	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]S)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	116.7050	0.000	1	116.7050	0.000	1	116.1165	0.257	4	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]HH)(CC[6a]O)	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CCCH)(CCH)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]S)(CCCH)(CCH)	116.2110	0.000	1	116.3590	0.044	2	116.9037	0.912	3	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CCCH)(CCH)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CCCH)(CCH)	116.5070	0.000	1	116.3590	0.044	2	116.9037	0.912	3	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CH3)(CCH)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CH3)(CCH)	117.9930	0.000	1	117.9930	0.000	1	116.9037	0.912	3	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	115.8190	0.518	2	115.8190	0.268	2	115.8190	0.268	2	118.5497	5.902	56	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]H)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]H)(CH3)2	131.9280	0.000	1	131.9280	0.000	1	131.9280	0.000	1	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[5,6a]C[6a])(NCC)(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO){1|H<1>,3|C<3>}	N(CC[6a]O)(CCHH)2	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.1076	0.739	5	118.4569	0.380	15	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.6315	0.498	10	118.4569	0.380	15	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCHH)2	117.6410	0.000	1	117.6410	0.000	1	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(CNO){1|N<3>,3|H<1>,4|C<3>}	N(CC[6a]O)(CCCH)2	119.0538	0.722	4	119.0538	0.521	4	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	119.0800	0.000	1	118.6000	0.294	5	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]O)(CCCH)2	117.7160	0.000	1	118.6000	0.294	5	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.8470	0.000	1	118.6000	0.294	5	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(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)(CCCH)2	118.6785	0.303	2	118.6000	0.294	5	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]O)(CH3)2	117.4340	0.000	1	117.4340	0.000	1	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CNO){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.6983	0.734	3	118.6983	0.539	3	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.5840	0.000	1	118.5840	0.000	1	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	120.0145	0.759	4	120.0145	0.576	4	118.7024	0.665	34	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(CH3)2	118.4930	0.000	1	118.4930	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|S<2>}	N(CC[6a]O)(CCHH)2	118.9955	0.323	2	118.9955	0.104	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CNO){3|C<3>}	N(CC[6a]O)(CCHH)(CH3)	118.3090	0.000	1	118.3090	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CNO){1|C<4>,2|C<3>}	N(CC[6a]O)(CCHH)2	117.8590	0.229	2	117.8590	0.052	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(CCHH)2	118.5100	0.000	1	118.5100	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]O)(CCHH)2	118.0560	0.000	1	118.0560	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CNO){1|I<1>,2|C<3>}	N(CC[6a]O)(CH3)2	121.0760	0.000	1	121.0760	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.7490	0.741	4	118.7490	0.550	4	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|O<2>,3|C<3>}	N(CC[6a]O)(CC3)(CH3)	116.6725	2.157	2	116.6725	4.654	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(CC[6a]O)(CCCH)2	119.5860	1.419	4	119.7984	1.526	8	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	120.0108	1.195	4	119.7984	1.526	8	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	N(CC[6a]O)(CH3)2	117.8110	0.530	2	117.8110	0.281	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	118.9620	1.015	3	118.9620	1.030	3	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CNO){5|C<3>}	N(CC[6a]O)(CH3)2	117.6480	0.000	1	117.6480	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)2(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)2(CNO){3|C<3>}	N(CC[6a]O)(CH3)2	117.8040	0.000	1	117.8040	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(CCHH)	117.3390	0.000	1	117.3390	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CCCH)2	119.5280	0.000	1	119.5394	4.758	5	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	119.0250	0.272	2	119.5394	4.758	5	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(CCCH)2	120.0595	4.229	2	119.5394	4.758	5	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CH3)	117.8530	0.000	1	117.8530	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CCHH)2	119.3750	0.000	1	118.2145	2.694	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(CCHH)2	117.0540	0.000	1	118.2145	2.694	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)2	118.1820	0.569	4	118.1820	0.324	4	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CCCH)2	117.5300	0.000	1	118.7555	3.004	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	119.9810	0.000	1	118.7555	3.004	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CCHH)(CH3)	118.5750	0.100	2	118.5750	0.010	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CCCH)2	118.4095	2.033	2	118.4095	4.133	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	117.4510	0.000	1	117.4510	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N(CC[6a]O)(CCCH)2	119.8940	0.000	1	119.8940	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N(CC[6a]O)(CCCH)2	117.5310	0.000	1	117.5310	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])2(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C[5])2(CNO){1|C<3>,2|N<3>,2|O<2>,4|H<1>}	N(CC[6a]O)(CCCH)2	117.8780	0.000	1	117.8780	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|F<1>}	N(CC[6a]O)(CCHH)2	117.9725	0.418	2	117.9725	0.175	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(CH3)	121.0160	0.105	2	121.0160	0.011	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	119.0580	0.000	1	119.0580	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CH3)	118.4230	0.000	1	118.4230	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)2	118.7035	1.273	2	118.7035	1.622	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CH3)2	119.4190	0.000	1	118.3640	2.226	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CH3)2	117.3090	0.000	1	118.3640	2.226	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCCH)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCCH)(CCHH)	117.6810	0.000	1	117.6810	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(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)(CH3)	117.4060	0.000	1	117.4060	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CCHH)2	118.8120	0.000	1	118.8120	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CCCH)2	118.9910	0.000	1	118.9910	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|B<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CH3)2	117.4970	0.000	1	118.5377	0.883	3	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CH3)2	119.0580	0.376	2	118.5377	0.883	3	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CH3)2	117.7091	0.914	9	117.7091	0.835	9	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(CH3)	118.9830	0.000	1	118.9830	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	118.0340	0.606	4	118.0340	0.367	4	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CCHH)(CH3)	118.6460	0.000	1	118.3130	0.222	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CH3)	117.9800	0.000	1	118.3130	0.222	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)2	120.0950	0.528	2	119.6033	1.026	4	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CCHH)2	119.1115	1.354	2	119.6033	1.026	4	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(CH3)2	118.6970	0.024	2	119.0287	1.066	6	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)2	119.7467	0.818	3	119.0287	1.066	6	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CH3)2	117.5380	0.000	1	119.0287	1.066	6	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CHHS)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CHHS)2	119.1900	0.000	1	118.9460	0.119	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CHHS)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(CHHS)2	118.7020	0.000	1	118.9460	0.119	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CSeHH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSeHH)2	116.8150	0.000	1	116.8150	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(CH3)	116.5070	0.000	1	116.5070	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	118.2675	0.095	2	118.2675	0.009	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)2	119.8055	0.535	2	119.8055	0.287	2	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(CH3)2	118.9860	0.000	1	118.9860	0.000	1	118.6026	1.487	105	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CH3)2	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CH3)2	117.8860	0.038	5	117.8860	0.001	5	117.8860	0.001	5	118.7066	2.481	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(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)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(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)(H)	125.3310	0.000	1	125.3310	0.000	1	125.3310	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(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[3x6]C[6,6]3)(CC[6a]H)(H)	124.2120	0.000	1	124.2120	0.000	1	124.2120	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[3x6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	124.4770	0.000	1	124.4770	0.000	1	126.5337	3.222	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]H)(H)	127.7840	0.000	1	127.7840	0.000	1	126.5337	3.222	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	127.3400	0.000	1	127.3400	0.000	1	126.5337	3.222	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6]H)(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)(H)	124.1090	1.677	2	123.7876	1.151	7	123.7876	1.151	7	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6]H)(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)(H)	125.0770	0.000	1	123.7876	1.151	7	123.7876	1.151	7	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	N(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6]H)(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)(H)	123.3045	0.656	4	123.7876	1.151	7	123.7876	1.151	7	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(N)	C[6a](C[6a]C[6a]H)2(CNN)	N(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(N)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]N)(H)	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO){1|C<3>,4|C<4>,4|H<1>}	N(CC[6a]3)(CC[6a]O)(H)	113.5738	2.063	4	113.5738	4.257	4	113.5738	4.257	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(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)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(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)(H)	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(CC[5]HH)(CC[6a]O)(H)	117.8320	0.000	1	117.8320	0.000	1	116.5205	3.440	2	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(CC[6]HH)(CC[6a]O)(H)	115.2090	0.000	1	115.2090	0.000	1	116.5205	3.440	2	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){2|H<1>,3|C<3>}	N(CC[6a]CC)(CC[6a]O)(H)	113.6720	0.000	1	113.6720	0.000	1	116.6710	7.495	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CNO){1|H<1>,1|N<2>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	119.0360	0.000	1	119.0360	0.000	1	116.6710	7.495	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CNO){1|C<4>,3|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	117.3050	0.000	1	117.3050	0.000	1	116.6710	7.495	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CNO){1|H<1>,1|N<2>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.8030	0.000	1	115.8030	0.000	1	115.8030	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	117.5280	0.000	1	117.5280	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	115.3102	0.616	5	115.3102	0.379	5	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	117.5270	0.000	1	117.5270	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	116.3580	0.000	1	116.3580	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[5]HH)(CC[6a]O)(H)	117.2500	1.571	2	117.2500	2.469	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[5a]HH)(CC[6a]O)(H)	116.5960	0.000	1	116.5960	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){1|F<1>,1|H<1>,3|C<3>}	N(CC[6a]CC)(CC[6a]O)(H)	120.2400	0.000	1	119.0933	2.546	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]CC)(CC[6a]O)(H)	118.5200	1.766	2	119.0933	2.546	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]3)(CC[6a]O)(H)	114.4836	1.176	5	113.3453	8.881	6	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]O)(H)	107.6540	0.000	1	113.3453	8.881	6	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	116.0538	1.156	4	116.0538	1.336	4	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[5]HH)(CC[6a]O)(H)	118.1830	0.593	3	118.1830	0.352	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6,6]HH)(CC[6a]O)(H)	116.4660	0.000	1	116.4660	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	116.0986	1.629	7	116.0986	2.652	7	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.6255	1.038	6	115.6255	1.078	6	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CN[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CN[6]HH)(CC[6a]O)(H)	116.5480	0.226	2	116.5480	0.051	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	114.1520	3.349	2	114.1520	11.215	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	N(CC[4]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(CC[4]HH)(CC[6a]O)(H)	120.1620	1.684	2	120.1620	2.837	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CNO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	115.7470	0.007	2	115.7470	0.000	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]O)(H)	117.1170	0.000	1	117.1170	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	116.4263	0.534	3	116.4263	0.285	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]HH)(CC[6a]O)(H)	115.4385	0.489	2	115.4385	0.239	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]3)(CC[6a]O)(H)	114.9705	1.006	2	114.0413	3.096	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]O)(H)	112.1830	0.000	1	114.0413	3.096	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	116.6900	0.000	1	116.6900	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	115.8570	0.564	2	115.8570	0.318	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	116.2660	0.000	1	116.2660	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[5]HH)(CC[6a]O)(H)	117.6290	0.000	1	117.6290	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(H)	118.5361	0.698	8	118.5361	0.488	8	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	117.7580	0.000	1	117.7580	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CC)(CC[6a]O)(H)	117.6010	0.000	1	117.6010	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	118.9325	0.013	2	118.9325	0.000	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	118.2847	0.666	12	118.2847	0.444	12	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[5]HH)(CC[6a]O)(H)	119.2960	0.000	1	119.2960	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	119.0315	0.069	2	119.0315	0.005	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	116.5990	0.000	1	117.1137	1.223	7	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	117.1995	1.186	6	117.1137	1.223	7	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[5]CH)(CC[6a]O)(H)	116.9965	1.070	6	116.9965	1.146	6	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[5]HH)(CC[6a]O)(H)	116.6707	0.719	7	116.6707	0.517	7	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[5a]CH)(CC[6a]O)(H)	116.6886	0.498	8	116.6886	0.248	8	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5a]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(CC[6a]O)(H)	117.1670	0.410	2	117.1670	0.168	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(H)	117.8610	0.000	1	116.4014	0.839	9	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(CC[5a]HH)(CC[6a]O)(H)	116.2190	0.785	8	116.4014	0.839	9	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]2H)(CC[6a]O)(H)	116.5760	0.000	1	116.5760	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]CH)(CC[6a]O)(H)	116.6825	0.446	2	116.6825	0.199	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	117.2570	0.811	5	117.3117	0.544	6	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(CC[6]HH)(CC[6a]O)(H)	117.5850	0.000	1	117.3117	0.544	6	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]2C)(CC[6a]O)(H)	115.6153	0.731	3	115.6153	0.534	3	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]O)(H)	117.4780	0.000	1	117.4780	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]3)(CC[6a]O)(H)	116.5650	0.000	1	116.5650	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)(H)	114.8665	0.322	2	114.8665	0.104	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|F<1>}	N(CC[6a]CH)(CC[6a]O)(H)	118.1250	0.485	4	116.8232	0.741	77	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	116.6282	0.842	59	116.8232	0.741	77	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]CH)(CC[6a]O)(H)	117.0387	0.244	3	116.8232	0.741	77	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)(H)	117.3370	0.483	11	116.8232	0.741	77	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]C[3]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]C[3]H)(CC[6a]O)(H)	115.1660	0.000	1	115.1660	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	117.8540	0.000	1	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CC[6a]O)(H)	116.7257	1.128	3	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	116.8130	0.000	1	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	117.8380	1.045	8	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]HH)(CC[6a]O)(H)	117.8000	0.000	1	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<4>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	116.5992	0.912	16	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	116.2167	0.977	25	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	117.1617	0.563	7	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|O<2>,2|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	116.7673	0.495	6	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){3|C<3>}	N(CC[6a]HH)(CC[6a]O)(H)	117.5542	0.497	5	116.7789	1.018	73	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HO)(CC[6a]O)(H)	117.5840	0.000	1	117.5840	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HP)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HP)(CC[6a]O)(H)	116.8967	0.701	3	116.6726	0.466	5	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HP)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]HP)(CC[6a]O)(H)	116.3365	0.709	2	116.6726	0.466	5	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HS)(CC[6a]O)(H)	116.1900	0.000	1	116.1900	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CN[5]HH)(CC[6a]O)(H)	115.7010	0.000	1	115.7010	0.000	1	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[5a]HH)(CC[6a]O)(H)	117.5825	0.076	2	117.5825	0.006	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]CC)(CC[6a]O)(H)	117.1955	0.213	2	117.1955	0.045	2	116.7774	1.821	308	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[3]C[3]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	N(C[3]C[3]2H)(CC[6a]O)(H)	118.1920	0.000	1	118.1920	0.000	1	116.9082	0.799	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3]C[3]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[3]C[3]2C)(CC[6a]O)(H)	116.3365	0.276	2	116.3365	0.076	2	116.9082	0.799	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3]C[3]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[3]C[3]2H)(CC[6a]O)(H)	116.7680	0.000	1	116.7680	0.000	1	116.9082	0.799	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	113.7630	0.136	2	113.7630	0.018	2	115.5629	1.848	9	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	115.8660	0.000	1	115.8660	0.000	1	115.5629	1.848	9	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	115.9023	1.747	3	116.1123	1.277	6	115.5629	1.848	9	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	116.3165	0.127	2	116.1123	1.277	6	115.5629	1.848	9	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	116.3340	0.000	1	116.1123	1.277	6	115.5629	1.848	9	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[4]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[4]C[4,5]C[4]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[4]C[4,5]C[4]C)(CC[6a]O)(H)	115.4980	0.000	1	115.4980	0.000	1	115.9475	0.404	2	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[4]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	116.3970	0.000	1	116.3970	0.000	1	115.9475	0.404	2	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	117.1750	0.438	5	117.1750	0.192	5	117.2793	0.161	7	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	117.5400	0.068	2	117.5400	0.005	2	117.2793	0.161	7	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	N(C[5]C[5]2Fe)(CC[6a]O)(H)	114.8227	0.347	3	114.8227	0.120	3	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5]2C)(CC[6a]O)(H)	115.0930	0.701	4	115.0930	0.491	4	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[5]C[5]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2O)(CC[6a]O)(H)	121.1470	0.000	1	121.1470	0.000	1	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[5]C[5]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(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[5]C[5]2H)(CC[6a]O)(H)	117.5450	0.000	1	117.5450	0.000	1	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	115.9700	0.349	2	115.9700	0.122	2	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	117.8620	0.888	4	117.8620	0.788	4	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	116.4460	0.000	1	117.5205	2.309	2	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	118.5950	0.000	1	117.5205	2.309	2	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)	117.7620	0.000	1	117.7620	0.000	1	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2C)(CC[6a]O)(H)	116.7964	1.726	14	116.7964	2.980	14	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]O)(H)	116.6478	0.455	4	116.4796	0.296	5	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]2Fe)(CC[6a]O)(H)	115.8070	0.000	1	116.4796	0.296	5	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]O)(H)	116.8446	0.880	8	116.8446	0.774	8	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	118.0040	0.000	1	117.4385	0.640	2	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	116.8730	0.000	1	117.4385	0.640	2	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	116.8875	0.390	2	116.8875	0.152	2	116.7486	2.178	49	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6,6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.9960	0.000	1	116.9960	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.5340	0.000	1	115.5340	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	117.2080	0.000	1	117.2080	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	113.2280	0.000	1	113.2280	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	113.9370	0.000	1	113.9370	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.0820	0.000	1	115.0820	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	117.2610	0.000	1	117.2610	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.6670	0.000	1	117.7960	1.141	3	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	118.3605	0.609	2	117.7960	1.141	3	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(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[6]C[6]2H)(CC[6a]O)(H)	118.0470	0.000	1	118.0470	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.2285	0.210	2	115.2285	0.044	2	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.7595	0.756	2	115.7595	0.571	2	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.6420	0.000	1	116.6420	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.1260	0.000	1	116.1260	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	116.4165	0.947	2	116.4165	0.896	2	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	116.4260	0.000	1	116.4260	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	116.9810	0.000	1	116.9810	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(C[6]C[6]2C)(CC[6a]O)(H)	116.0650	0.000	1	116.1493	1.260	18	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	116.1542	1.157	17	116.1493	1.260	18	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2Cr)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]2Cr)(CC[6a]O)(H)	117.4610	0.000	1	117.4610	0.000	1	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]O)(H)	117.5850	0.000	1	116.7664	0.657	36	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(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)(H)	116.7337	0.867	30	116.7664	0.657	36	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	117.2040	0.000	1	116.7664	0.657	36	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.8610	0.000	1	116.7664	0.657	36	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.5140	0.000	1	116.7664	0.657	36	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.7065	0.467	2	116.7664	0.657	36	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	117.8843	1.881	3	117.8843	3.538	3	116.5450	1.286	79	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(PN[6]2O)(CC[6a]O)(H)	114.1990	0.000	1	114.1990	0.000	1	116.6145	2.846	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(PC[6a]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CC[6a]O)(H)	117.2380	0.000	1	117.2380	0.000	1	116.6145	2.846	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(PN[6]2O)(CC[6a]O)(H)	117.5105	0.842	2	117.5105	0.709	2	116.6145	2.846	4	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NP[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(P[6]N[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NP[6]H)(O)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|H<1>}	N(P[6]N[6]2O)(CC[6a]O)(H)	114.8620	0.000	1	114.8620	0.000	1	114.8620	0.000	1	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	115.6690	0.000	1	115.6690	0.000	1	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	115.0163	0.241	3	115.0163	0.058	3	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	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)(H)	115.2190	0.000	1	115.2190	0.000	1	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	114.0332	0.690	4	114.0332	0.476	4	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	117.0000	0.011	2	117.0000	0.000	2	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	115.2133	1.490	3	116.1425	1.372	45	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(SC[6a]OO)(CC[6a]O)(H)	113.7630	0.249	2	116.1425	1.372	45	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(SC[6a]OO)(CC[6a]O)(H)	117.2380	0.940	8	116.1425	1.372	45	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	116.1027	0.904	26	116.1425	1.372	45	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	116.1123	1.064	6	116.1425	1.372	45	115.9372	1.522	56	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]CH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]S)(H)	115.9450	0.335	2	115.9450	0.112	2	115.3150	1.247	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,1|H<1>,1|P<4>}	N(CC[6a]HH)(CC[6a]S)(H)	114.0550	0.000	1	114.0550	0.000	1	115.3150	1.247	3	116.7785	3.294	547	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NCO)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,4|C<3>}	N(CC[6a]HH)(CC[6a]O)(OH)	116.6485	0.753	2	116.6485	0.567	2	116.6485	0.567	2	118.0820	2.881	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C(C[6a]C[6a]2)(NC[6]O)(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)(OC[6])	119.8495	0.390	2	119.8495	0.152	2	119.8495	0.152	2	118.0820	2.881	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:N-2:	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6]OO)(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NNS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(SC[6]OO)(CC[6a]O)(NH)	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	118.0820	2.881	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]2)(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(CC[6a]CH)(CC[6a]O)2	C(C[6a]C[6a,6a]2)(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(CC[6a]CH)(CC[6a]O)2	118.3210	0.000	1	118.3210	0.000	1	117.4582	0.193	6	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]2)(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a,6a]2)(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CNO){2|H<1>,5|C<3>}	N(CC[6a]HH)(CC[6a]O)2	117.2856	0.132	5	117.2856	0.018	5	117.4582	0.193	6	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NCC)(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]CH)(CC[6a]O)2	117.0660	1.083	5	117.0660	1.172	5	117.0895	0.747	10	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NCC)(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]HH)(CC[6a]O)2	117.1130	0.712	5	117.1130	0.508	5	117.0895	0.747	10	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(CC[6a]HH)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCH)	115.9690	0.000	1	115.9690	0.000	1	117.1076	2.177	5	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	N(CC[6a]CC)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)(CCO)	115.5760	0.000	1	115.5760	0.000	1	117.1076	2.177	5	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]HH)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCC)	116.9390	0.000	1	116.9390	0.000	1	117.1076	2.177	5	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	117.8170	0.000	1	117.8170	0.000	1	117.1076	2.177	5	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCC)	119.2370	0.000	1	119.2370	0.000	1	117.1076	2.177	5	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]CH)(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(NCC)	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CNO){1|Br<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	117.8930	0.000	1	117.8930	0.000	1	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	117.1510	0.000	1	117.1510	0.000	1	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CNN)	120.6720	0.000	1	120.6720	0.000	1	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	116.2550	0.000	1	116.2550	0.000	1	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC[6]C)(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)(CNN)	117.2385	0.408	4	117.2385	0.167	4	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	119.2065	1.292	2	118.0741	2.265	7	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6]C)(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)(CNO)	117.3795	1.545	4	118.0741	2.265	7	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	118.5880	0.000	1	118.0741	2.265	7	117.8296	1.924	15	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(NCC)(S)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	116.4270	0.000	1	116.4270	0.000	1	116.4270	0.000	1	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:3:	N-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4,4]-4:C[6a]-3:C-3:	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	117.3720	1.049	2	117.3720	1.101	2	117.3720	1.101	2	117.4627	1.311	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:C-4:	C(C[6a]C[6a]2)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(BC[6a]3)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(BC[6a]3)(CC[6a]H)(CCHH)	127.0560	0.000	1	127.0560	0.000	1	127.0560	0.000	1	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)(CCHH)	106.2020	0.000	1	106.2020	0.000	1	106.2020	0.000	1	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[5a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|O<2>,3|C<3>}	N(CC[5a]CH)(CC[6a]O)(CCCH)	120.6015	0.561	2	120.6015	0.314	2	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]HO)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]HO)(CC[6a]O)(CCHH)	119.3270	0.000	1	119.3270	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]HO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]HO)(CC[6a]O)(CH3)	119.7010	0.082	2	119.7010	0.007	2	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]HS)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]HS)(CC[6a]O)(CH3)	118.2800	0.000	1	118.2800	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]N[6]H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]N[6]H)(CC[6a]O)(CH3)	118.9720	0.000	1	118.9720	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)2(CNO)	N(CC[6]HH)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)2(CNO){7|C<3>}	N(CC[6]HH)(CC[6a]O)(CH3)	117.7800	0.000	1	117.7800	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[5a]HH)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(CH3)	117.9170	0.000	1	117.9170	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCCH)	117.6655	1.688	2	117.6655	2.849	2	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(CCHH)	117.6500	0.000	1	117.6500	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCCH)	119.2290	0.000	1	119.2290	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(CCHH)	118.1063	0.372	3	118.1063	0.139	3	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCHH)	117.4930	2.015	2	117.4930	4.061	2	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]CH)(CC[6a]O)(CCHH)	118.7263	0.151	3	118.7263	0.023	3	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]O)(CCHH)	120.1160	0.000	1	118.8513	1.470	3	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(CCHH)	118.2190	0.735	2	118.8513	1.470	3	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N(CC[5a]HH)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(CH3)	119.6500	0.000	1	119.6500	0.000	1	118.6712	1.262	25	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3,6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[3,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[3,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	118.4390	0.000	1	118.4390	0.000	1	118.4390	0.000	1	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	118.5910	0.000	1	118.5910	0.000	1	119.2023	0.280	3	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[3]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|C<4>}	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	119.5080	0.000	2	119.5080	0.000	2	119.2023	0.280	3	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CNO){1|C<4>,2|C<3>}	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	118.9390	0.000	1	118.9390	0.000	1	119.2813	1.389	7	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	117.8805	1.173	2	119.1904	1.886	5	119.2813	1.389	7	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	120.6050	0.000	1	119.1904	1.886	5	119.2813	1.389	7	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	119.7930	0.086	2	119.1904	1.886	5	119.2813	1.389	7	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]O)(CCHH)	120.0780	0.000	1	120.0780	0.000	1	119.2813	1.389	7	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	118.0180	0.000	1	118.0180	0.000	1	118.0180	0.000	1	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(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)(CH3)	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	118.6894	6.895	40	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:B-4:C-3:	C(C[6a]C[6a]2)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	131.5370	0.000	1	131.5370	0.000	1	131.5370	0.000	1	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	N(CC[6a]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6a]H)	129.0780	0.000	1	129.0780	0.000	1	129.0780	0.000	1	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	127.4870	0.000	1	127.4870	0.000	1	127.4870	0.000	1	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO)	N(CC[5a]HH)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]CH)(CC[6a]O)	121.6600	0.000	1	121.6600	0.000	1	119.4526	2.576	5	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	119.7010	0.000	1	119.7010	0.000	1	119.4526	2.576	5	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)2(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]CH)2(CC[6a]O)	119.7230	0.000	1	119.7230	0.000	1	119.4526	2.576	5	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	117.2000	0.000	1	117.2000	0.000	1	119.4526	2.576	5	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CC[6a]O)	118.9790	0.000	1	118.9790	0.000	1	119.4526	2.576	5	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]C[5]2Fe)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]2Fe)(CC[6a]HH)(CC[6a]O)	118.4935	0.861	2	118.4935	0.741	2	118.4935	0.741	2	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]Br)2(CNO)	N(C[6]C[6]2H)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]Br)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)2(CC[6a]O)	117.7710	0.000	1	117.7710	0.000	1	118.8460	0.514	4	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)2(CC[6a]O)	119.2220	0.020	2	119.2043	0.001	3	118.8460	0.514	4	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6]C[6]2H)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(C[6]C[6]2H)2(CC[6a]O)	119.1690	0.000	1	119.2043	0.001	3	118.8460	0.514	4	121.2669	21.004	14	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	6:3:1:	N-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]O)(H)	117.3595	0.332	2	117.3595	0.110	2	117.6037	0.530	9	117.6037	0.530	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:1:	3:3:3:	6:3:1:	N-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]O)(H)	117.6734	0.814	7	117.6734	0.663	7	117.6037	0.530	9	117.6037	0.530	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	2:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	N[6a]-2:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NHH)(NN)	C[6a](N[6a]C[6a])2(CNN)	N(CC[6a]N)(H)2	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)(H)2	116.8360	0.000	1	116.8360	0.000	1	116.9790	0.041	2	116.9790	0.041	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	2:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	N[6a]-2:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NHH)(NO)	C[6a](N[6a]C[6a])2(CNN)	N(CC[6a]N)(H)2	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)(H)2	117.1220	0.000	1	117.1220	0.000	1	116.9790	0.041	2	116.9790	0.041	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	2:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	N[6a]-2:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	117.0338	0.750	10	116.9210	0.647	11	117.0243	0.604	20	117.0243	0.604	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	115.7930	0.000	1	116.9210	0.647	11	117.0243	0.604	20	117.0243	0.604	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	116.7216	0.689	5	116.7216	0.475	5	117.0243	0.604	20	117.0243	0.604	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	117.4985	0.664	2	117.4985	0.441	2	117.0243	0.604	20	117.0243	0.604	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	117.8745	0.450	2	117.8745	0.203	2	117.0243	0.604	20	117.0243	0.604	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-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)(NCH)(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)(NCH)(H)	118.1870	0.000	1	118.1870	0.000	1	118.1870	0.000	1	113.5461	6.789	12	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[6]C[6]N[6])(CC[6a]N)(H)	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(C[6]C[6]N[6])(CC[6a]N)(H)	117.2160	0.000	1	117.2160	0.000	1	117.2160	0.000	1	113.5461	6.789	12	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	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(C[6a]C[6a]N[6a])(CC[6a]N)(H)	111.6637	0.894	7	111.6637	0.800	7	111.6637	0.800	7	113.5461	6.789	12	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(OCd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6a]O)(NCdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(OCd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCdC)(H)	115.1680	1.044	3	115.1680	1.090	3	115.1680	1.090	3	113.5461	6.789	12	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-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)(CC[6a]O)	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)(CC[6a]O)	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	4:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	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(C[3x6]C[6,6]3)(CC[6a]N)(H)	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	116.6033	1.026	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:2:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(OCd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(OCd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N(CC[6]HH)(CC[6a]O)(H)	117.0307	0.666	3	117.0307	0.443	3	117.0307	0.443	3	116.6033	1.026	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[4,6a]-3:C[6a]-3:C-3:	C-3:H-1: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)2	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)2	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1: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)2	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)2	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6,6a]-3:C[6a]-3:C-3:	C-3:H-1: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)2	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)2	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)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)(H)2	116.7810	0.000	1	116.7810	0.000	1	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	117.9325	0.378	10	117.9325	0.143	10	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)2	118.1078	2.157	5	118.1078	4.654	5	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	117.6027	0.654	3	117.6027	0.427	3	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	117.6150	0.000	1	117.6150	0.000	1	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	118.7435	0.713	2	118.7435	0.509	2	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	118.0700	0.095	2	118.0700	0.009	2	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	119.0630	0.144	2	118.8095	0.662	24	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	118.8622	0.888	18	118.8095	0.662	24	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	118.9770	0.000	1	118.8095	0.662	24	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	118.6330	0.000	1	118.8095	0.662	24	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	118.0870	0.735	2	118.8095	0.662	24	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NPt)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NPt)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	117.1470	0.000	1	117.1470	0.000	1	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NS)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NS)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	117.6200	0.000	1	117.6200	0.000	1	118.3378	1.035	50	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(NOO)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(O)2	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)(O)2	118.5450	0.769	2	118.5450	0.592	2	118.5450	0.592	2	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(OCa)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OCa)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(H)2	119.3250	0.000	1	119.3250	0.000	1	121.7399	6.284	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(OCu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OCu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	117.7750	0.000	1	117.7750	0.000	1	121.7399	6.284	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	123.3538	0.660	6	123.3538	0.436	6	121.7399	6.284	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(H)2	118.4360	0.000	1	118.4360	0.000	1	121.7399	6.284	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(SAg)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SAg)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	117.5300	0.091	2	117.5300	0.008	2	118.7784	2.986	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(SO)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SO)	C[6a](C[6a]C[6a]H)2(CNS){1|C<4>,1|H<1>,1|N<2>}	N(CC[6a]S)(H)2	121.6295	0.193	2	121.6295	0.037	2	118.7784	2.986	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(SRh)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SRh)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	118.2073	0.581	3	118.2073	0.338	3	118.7784	2.986	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(SW)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SW)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	118.0325	1.305	2	118.0325	1.702	2	118.7784	2.986	9	118.8187	3.293	73	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO)	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNO){2|C<3>}	N(CC[6a]O)(OFe)(H)	119.8420	0.338	3	119.8420	0.114	3	120.3545	0.776	20	120.3545	0.776	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OFe)(H)	123.3430	0.000	1	123.3430	0.000	1	120.3545	0.776	20	120.3545	0.776	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(OFe)(H)	120.1143	0.926	3	120.2910	0.321	15	120.3545	0.776	20	120.3545	0.776	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OFe)(H)	120.3347	0.575	9	120.2910	0.321	15	120.3545	0.776	20	120.3545	0.776	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(OFe)(H)	120.3367	0.098	3	120.2910	0.321	15	120.3545	0.776	20	120.3545	0.776	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(OMn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OMn)(H)	C(C[6a]C[6a]2)(NHO)(OMn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OMn)(H)	119.8570	0.000	1	119.8570	0.000	1	120.3545	0.776	20	120.3545	0.776	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	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[6a]C[6a]2)(CC[6a]N)(H)	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[6a]C[6a]2)(CC[6a]N)(H)	121.7330	0.000	1	121.7330	0.000	1	121.7330	0.000	1	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)(H)	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)(H)	116.8328	0.530	4	116.8328	0.281	4	116.8328	0.281	4	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(NCH)(H)	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)(NCH)(H)	115.2240	0.000	1	115.2240	0.000	1	115.2240	0.000	1	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	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(C[6a]C[6a]2)(CC[6a]N)(H)	116.6384	3.167	9	116.6384	10.027	9	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	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[6a]C[6a]2)(CC[6a]N)(H)	120.0490	0.000	1	120.0490	0.000	1	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	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)(H)	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)(H)	113.4730	0.000	1	113.4730	0.000	1	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	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)(H)	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)(H)	115.4421	3.895	9	115.4421	15.169	9	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	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(C[6a]C[6a]2)(CC[6a]N)(H)	119.3730	0.000	1	119.3730	0.000	1	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	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(C[6a]C[6a]2)(CC[6a]N)(H)	121.9600	0.000	1	121.9600	0.000	1	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NRh)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NRh)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	118.8880	0.000	1	118.8880	0.000	1	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NRu)	C[6a](C[6a]C[6a]F)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NRu)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	116.4200	0.000	1	116.4200	0.000	1	116.6203	12.043	24	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(OCr)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(OCr)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CNO){1|Cr<6>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OCo)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(OCo)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	117.1630	0.911	2	117.1630	0.829	2	116.8664	1.758	19	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OCu)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNO)(H)	116.8090	0.000	1	116.8090	0.000	1	116.8664	1.758	19	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OZn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	116.8329	1.429	16	116.8329	2.041	16	116.8664	1.758	19	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OCa)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCaC)(H)	C(C[6a]C[6a]2)(NHN)(OCa)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCaC)(H)	116.8895	0.018	2	116.8895	0.000	2	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OCd)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCdC)(H)	C(C[6a]C[6a]2)(NHN)(OCd)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NCdC)(H)	117.9000	0.000	1	117.9000	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCoC)(H)	116.6815	0.400	2	116.6815	0.160	2	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCoC)(H)	117.5380	0.000	1	117.5380	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OCo)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(OCo)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCoC)(H)	117.1435	0.760	4	117.1435	0.577	4	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NFeC)(H)	121.2345	0.880	2	121.2345	0.775	2	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[5]Fe)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	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)(H)	119.3120	0.000	1	119.3120	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NC[6]Fe)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	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)(H)	118.3000	0.000	1	118.3000	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NFeC)(H)	121.8860	0.000	1	121.8860	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NFeC)(H)	119.2753	1.639	7	118.8469	3.772	8	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NFeC)(H)	115.8480	0.000	1	118.8469	3.772	8	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]O)(NFeC)(H)	118.7270	1.797	4	118.7270	3.229	4	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NMnC)(H)	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMnC)(H)	118.7360	0.000	1	118.7360	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(NMnC)(H)	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMnC)(H)	118.2120	0.000	1	118.2120	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NMnC)(H)	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NMnC)(H)	118.4020	0.000	1	118.4020	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NMnC)(H)	C(C[6a]C[6a]2)(NHN)(OMn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NMnC)(H)	118.9030	0.000	1	118.9030	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(NHN)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NNiC)(H)	117.2670	0.000	1	117.2670	0.000	1	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(ONi)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(NHN)(ONi)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NNiC)(H)	118.5925	2.080	2	118.5925	4.325	2	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OZn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NZnC)(H)	C(C[6a]C[6a]2)(NHN)(OZn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NZnC)(H)	118.3840	0.000	1	118.9873	0.370	3	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(OZn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NZnC)(H)	C(C[6a]C[6a]2)(NHN)(OZn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NZnC)(H)	119.2890	0.440	2	118.9873	0.370	3	118.4992	2.642	37	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-3:H-1:	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(OFe2)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OFe2)(H)	120.4280	0.000	1	120.4280	0.000	1	119.1725	3.153	2	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-3:H-1:	C(C[6a]C[6a]2)(NHO)(OMn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OMn2)(H)	C(C[6a]C[6a]2)(NHO)(OMn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OMn2)(H)	117.9170	0.000	1	117.9170	0.000	1	119.1725	3.153	2	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(OCd)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5]N[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(OCd)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5]N[5]2)(CC[6a]O)(H)	115.9640	0.000	1	115.9640	0.000	1	115.9640	0.000	1	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(OCu)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(OCu)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(CC[6a]O)(H)	116.7960	1.571	2	116.7960	2.469	2	116.7960	2.469	2	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9570	0.000	1	118.9570	0.000	1	119.1113	0.897	3	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1885	1.326	2	119.1885	1.758	2	119.1113	0.897	3	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	C[6a](C[6a]C[6a]H)2(CNP)	N(C[6a]C[6a]2)(CC[6a]P)(H)	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>}	N(C[6a]C[6a]2)(CC[6a]P)(H)	120.4350	0.629	2	120.4350	0.396	2	120.4350	0.396	2	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS)	N(CC[6a]S)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	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)(H)	124.9860	0.000	1	124.9860	0.000	1	126.2520	1.267	3	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNS){2|H<1>,3|C<3>}	N(CC[6a]S)(COO)(H)	127.1390	0.000	1	127.1390	0.000	1	126.2520	1.267	3	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNS){2|H<1>,3|C<3>}	N(CC[6a]S)(COO)(H)	126.6310	0.000	1	126.6310	0.000	1	126.2520	1.267	3	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.8960	0.000	1	119.7895	0.463	4	119.9716	0.798	8	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.7705	1.172	2	119.7895	0.463	4	119.9716	0.798	8	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.7210	0.000	1	119.7895	0.463	4	119.9716	0.798	8	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CNS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	120.2835	1.931	2	120.1538	1.309	4	119.9716	0.798	8	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CNS){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	120.0240	0.362	2	120.1538	1.309	4	119.9716	0.798	8	118.0696	7.362	108	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-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[5a]C[5a]S[5a])(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[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	116.3412	0.871	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(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(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	115.8750	0.000	1	115.8750	0.000	1	116.4916	0.783	5	116.3412	0.871	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-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)(CCH)	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)(CCH)	115.2880	0.000	1	115.2880	0.000	1	116.4916	0.783	5	116.3412	0.871	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-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)(CC[6a]O)	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)(CC[6a]O)	117.3240	0.000	1	117.3240	0.000	1	116.4916	0.783	5	116.3412	0.871	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-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)(CC[6a]S)	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)(CC[6a]S)	116.9855	0.349	2	116.9855	0.122	2	116.4916	0.783	5	116.3412	0.871	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)2(CC[6a]N)	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(C[6a]C[6a]2)2(CC[6a]N)	116.4757	1.080	3	116.4757	1.166	3	116.4757	1.166	3	116.3412	0.871	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:P-4:	C(C[6a]C[6a]2)(NC[6a]P)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	116.2540	0.000	3	116.2540	0.000	3	116.2540	0.000	3	121.9544	14.873	11	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SiCrN)(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)(SiCrN)(CCCH)	125.4235	0.924	2	125.4235	0.854	2	125.2575	0.511	4	121.9544	14.873	11	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SiMoN)(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)(SiMoN)(CCCH)	125.0915	0.754	2	125.0915	0.569	2	125.2575	0.511	4	121.9544	14.873	11	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	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)(SiCl2N)	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)(SiCl2N)	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	121.9544	14.873	11	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(OPd)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(OPd)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	122.8570	1.192	2	122.8570	1.421	2	122.8570	1.421	2	121.9544	14.873	11	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-3:C-4:	C(C[6a]C[6a]2)(NCO)(SC)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(ONi2)(CH3)	C(C[6a]C[6a]2)(NCO)(SC)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(ONi2)(CH3)	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	121.9544	14.873	11	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	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)(H)	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)(H)	114.0570	0.065	2	114.0570	0.004	2	114.0570	0.004	2	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)(H)	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)(CC3)(H)	115.0210	0.000	1	115.0210	0.000	1	115.9240	1.631	2	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)(H)	116.8270	0.000	1	116.8270	0.000	1	115.9240	1.631	2	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SClOO)(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)(SClOO)(H)	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(NSiH)(NSi)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(SiC3)(H)	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)(H)	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(OIr)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OIr)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	121.6570	0.182	2	121.6570	0.033	2	118.6274	6.595	8	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(CC3)(H)	117.3065	1.668	2	117.3065	2.782	2	118.6274	6.595	8	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(OPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)(H)	116.3580	0.000	1	116.3580	0.000	1	118.6274	6.595	8	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(ORe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(ORe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCHH)(H)	116.7180	0.000	1	116.7180	0.000	1	118.6274	6.595	8	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(ORu)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(ORu)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CC3)(H)	121.5000	0.000	1	121.5000	0.000	1	118.6274	6.595	8	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(OZn)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CC3)(H)	116.5160	0.000	1	116.5160	0.000	1	118.6274	6.595	8	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS){1|H<1>,2|C<3>}	N(CC[6a]S)(CCHH)(H)	120.4940	0.810	2	120.4940	0.657	2	120.4940	0.657	2	117.5741	8.735	16	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(SIr)	C[6a](C[6a]C[6a]H)2(CNS)	N(CC[6a]S)(CH3)(OIr)	C(C[6a]C[6a]2)(NCO)(SIr)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(CH3)(OIr)	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Ga-4:C-3:	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	C[6a](C[6a]C[6a]F)2(CNO){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)(CH3)	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)(CH3)	115.9610	0.923	2	115.9610	0.853	2	117.2808	2.960	9	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NN)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CH3)2	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)(CH3)2	118.9470	0.000	1	118.9470	0.000	1	117.2808	2.960	9	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)2	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)(CCCH)2	116.7030	1.557	4	116.7030	2.423	4	117.2808	2.960	9	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CNN)	N(CC[6a]N)(CCCH)2	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(CC[6a]N)(CCCH)2	117.7890	0.000	1	117.7890	0.000	1	117.2808	2.960	9	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NTi)	C[6a](C[6a]C[6a]F)2(CNN)	N(CC[6a]N)(CCCH)2	C(C[6a]C[6a]2)(NCC)(NTi)	C[6a](C[6a]C[6a]F)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)2	120.0570	0.000	1	120.0570	0.000	1	117.2808	2.960	9	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:Si-4:	C(C[6a]C[6a]2)(NSi2)(NP)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(SiC3)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)(SiC3)2	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(OLi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Zn)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(OLi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Zn)(CNO){2|H<1>,3|C<3>}	N(CC[6a]O)(CCCH)2	119.7715	0.900	2	119.7715	0.810	2	119.7715	0.810	2	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]Ag)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]Ag)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	120.0565	0.196	2	120.0565	0.038	2	120.0438	0.175	13	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	119.7510	0.000	1	119.7510	0.000	1	120.0438	0.175	13	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	120.0090	0.680	5	120.0090	0.463	5	120.0438	0.175	13	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)2	120.1600	0.000	1	120.1600	0.000	1	120.0438	0.175	13	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(OLi)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)2	120.1557	0.183	3	120.1557	0.033	3	120.0438	0.175	13	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OMo)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(OMo)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CH3)2	120.0330	0.000	1	120.0330	0.000	1	120.0438	0.175	13	118.8999	3.037	25	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]2H)(CC[6a]N)(H)	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)(H)	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6]C[6]2H)(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(C[6]C[6]2H)(CC[6a]N)(H)	114.9470	0.000	1	115.1623	0.041	3	115.1623	0.041	3	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6]C[6]2H)(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(C[6]C[6]2H)(CC[6a]N)(H)	115.2700	0.109	2	115.1623	0.041	3	115.1623	0.041	3	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OCd)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCd)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	117.1510	0.000	1	117.1510	0.000	1	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OCu)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N(CC[5]HH)(CC[6a]O)(H)	117.3863	0.537	4	117.3863	0.288	4	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OCu)	C[6a](C[6a]C[6a]H)2(CNO)	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CN[5]HH)(CC[6a]O)(H)	119.3080	0.000	1	119.3080	0.000	1	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OEu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OEu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(H)	118.6675	0.808	2	118.6675	0.653	2	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)(H)	116.4270	0.000	1	116.4270	0.000	1	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OFe)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OFe)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]2H)(CC[6a]O)(H)	118.2685	0.496	2	118.2685	0.246	2	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OGd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OGd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(H)	118.4275	1.102	2	118.4275	1.215	2	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OTb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OTb)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]O)(H)	118.0475	0.810	2	118.0475	0.656	2	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(OZn)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6]HH)(CC[6a]O)(H)	119.3860	0.000	1	119.3860	0.000	1	118.0399	0.890	16	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(SPd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNS){1|C<3>,1|H<1>,1|P<4>}	N(CC[6a]HH)(CC[6a]S)(H)	120.9390	0.000	1	120.9390	0.000	1	120.8317	0.448	3	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(SRu)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CNS)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(SRu)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CNS){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]S)(H)	120.7780	0.938	2	120.7780	0.879	2	120.8317	0.448	3	117.8212	3.829	23	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(CCO)	117.7020	0.086	2	117.7020	0.007	2	117.7020	0.007	2	117.7020	0.007	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Ge-4:C-3:C-4:	C(C[6a]C[6a]2)(NGeC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(GeC[6a]FN)(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(GeC[6a]FN)(CC[6a]N)(CC3)	123.5225	1.949	2	123.5225	3.801	2	123.5225	3.801	2	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(SiC[5]Cl2)(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(SiC[5]Cl2)(CC[6a]N)(CC3)	114.6880	0.000	1	114.6880	0.000	1	120.6493	21.254	6	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(SiC[6a]FN)(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(SiC[6a]FN)(CC[6a]N)(CC3)	122.8875	3.105	2	122.8875	9.640	2	120.6493	21.254	6	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(SiC[6a]SiF)(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(SiC[6a]SiF)(CC[6a]N)(CC3)	125.9270	0.000	1	125.9270	0.000	1	120.6493	21.254	6	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(SiC[6a]SiN)(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(SiC[6a]SiN)(CC[6a]N)(CC3)	118.7530	4.004	2	118.7530	16.029	2	120.6493	21.254	6	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4,5]-4: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(Si[4,5]C[5,6a]Si[4,5]C[4])(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(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	121.2250	0.000	1	121.2250	0.000	1	117.4230	28.910	2	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4,5]-4: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(Si[4,5]Si[4,4,5]C[5,6a]C[4])(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(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	113.6210	0.000	1	113.6210	0.000	1	117.4230	28.910	2	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[4]C[4]C[5]O[4])(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(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	124.3830	0.000	1	124.3830	0.000	1	121.8088	25.074	4	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[4]O[4]2C)(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(Si[4]O[4]2C)(CC[6a]N)(CC3)	123.8570	0.000	1	123.8570	0.000	1	121.8088	25.074	4	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[4]Si[4,4]C[4]Cl)(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(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	124.6800	0.000	1	124.6800	0.000	1	121.8088	25.074	4	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[4]Si[4,6,6]C[6a]O[4])(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(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	114.3150	0.000	1	114.3150	0.000	1	121.8088	25.074	4	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[5]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[5]C[5]2N)(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(Si[5]C[5]2N)(CC[6a]N)(CCCH)	118.7952	1.501	4	118.7952	2.253	4	118.7952	2.253	4	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[6]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[6]Si[3,6]C[6a]O[6])(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(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-4:	C(C[6a]C[6a]2)(NCP)(OPd)	C[6a](C[6a]C[6a]H)2(CNO)	N(PC[6a]2Pd)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCP)(OPd)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]O)(CH3)	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	120.1407	16.400	20	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	116.8383	0.430	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	S-4:S-4:C-3:	C(C[6a]C[6a]2)(NSS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(NSS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)2(CC[6a]C)	117.1925	0.327	2	117.1925	0.107	2	117.1925	0.107	2	116.8383	0.430	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	5:3:3:	N-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[3,3]-5: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(Si[3,3]Si[3,3]O[3]2N)(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(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	126.1160	0.000	1	126.1160	0.000	1	126.1160	0.000	1	126.1160	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:2:	3:3:3:	5:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4,5]-5: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(Si[4,5]C[5]2N[4]2)(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(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	124.6330	0.000	1	124.6330	0.000	1	124.6330	0.000	1	124.6330	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	2:2:3:	3:1:1:	C[6a]-3:C-3:N-3:	N[6a]-2:N[6a]-2:C-3:	C-3:O-1:O-1:	C(C[6a]N[6a]2)(CNN)(NOO)	C[6a](N[6a]C[6a])2(CCN)	N(CC[6a]C)(O)2	C(C[6a]N[6a]2)(CNN)(NOO)	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	N(CC[6a]C)(O)2	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	117.3785	3.083	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	2:2:3:	3:1:1:	C[6a]-3:N-3:N-3:	N[6a]-2:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NBH)(NHH)	C[6a](N[6a]C[6a])2(CNN)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NBH)(NHH)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	116.1370	0.000	1	116.1370	0.000	1	116.1370	0.000	1	117.3785	3.083	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	2:2:3:	3:4:1:	C[6a]-3:N-3:N-3:	N[6a]-2:N[6a]-2:C-3:	C-3:B-4:H-1:	C(C[6a]N[6a]2)(NBH)(NHH)	C[6a](N[6a]C[6a])2(CNN)	N(CC[6a]N)(BF3)(H)	C(C[6a]N[6a]2)(NBH)(NHH)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(BF3)(H)	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	121.9620	1.401	2	122.1365	0.711	4	120.1029	3.670	10	120.1029	3.670	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	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)(H)2	122.3110	0.214	2	122.1365	0.711	4	120.1029	3.670	10	120.1029	3.670	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	118.7472	0.815	6	118.7472	0.665	6	120.1029	3.670	10	120.1029	3.670	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]N)(NC)(H)	118.9400	0.000	1	117.1810	2.324	3	117.1810	2.324	3	117.1810	2.324	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	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)(NC)(H)	116.3015	0.083	2	117.1810	2.324	3	117.1810	2.324	3	117.1810	2.324	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[5a]N[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]C)(H)	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	115.7273	0.995	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NCH)(H)	115.1980	0.000	1	115.1980	0.000	1	116.0380	1.411	2	115.7273	0.995	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NHH)(H)	116.8780	0.000	1	116.8780	0.000	1	116.0380	1.411	2	115.7273	0.995	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	114.7605	1.735	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	114.7605	1.735	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(H)2	116.3015	0.661	2	116.3015	0.437	2	116.1158	1.303	4	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C[5])(H)2	115.9300	1.826	2	115.9300	3.333	2	116.1158	1.303	4	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	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)(H)2	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	115.4410	0.000	1	115.4410	0.000	1	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	N(CC[6a]C)(H)2	113.9890	0.000	1	113.9890	0.000	1	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C)(H)2	114.5490	0.000	1	114.2030	0.132	5	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	114.1165	0.355	4	114.2030	0.132	5	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCH)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	N(CC[6a]C)(H)2	116.7350	0.000	1	116.7350	0.000	1	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	113.8380	0.410	2	113.8380	0.168	2	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	115.1563	1.682	3	115.1563	2.830	3	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	112.7160	0.000	1	112.7160	0.000	1	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	115.0260	0.000	1	115.0260	0.000	1	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	114.4325	0.875	2	114.4325	0.765	2	114.5254	1.208	17	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(CCH)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(O)2	C(C[6a]C[6a]2)(CCH)(NOO)	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)(O)2	117.0570	0.000	1	117.0570	0.000	1	117.1117	4.820	3	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(O)2	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(O)2	114.9440	0.000	1	114.9440	0.000	1	117.1117	4.820	3	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(CHN)(NOO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(O)2	C(C[6a]C[6a]2)(CHN)(NOO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(O)2	119.3340	0.000	1	119.3340	0.000	1	117.1117	4.820	3	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(H)2	114.9915	0.018	2	114.7683	0.150	3	114.7683	0.150	3	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|N<2>,2|H<1>}	N(CC[6a]C[6])(H)2	114.3220	0.000	1	114.7683	0.150	3	114.7683	0.150	3	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(H)2	119.0885	1.686	2	119.0885	2.844	2	119.0885	2.844	2	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(C[6a]C[6a]2)2(NOO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(O)2	C(C[6a]C[6a]2)2(NOO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(O)2	119.8435	6.534	2	119.8435	42.698	2	119.8435	42.698	2	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)2	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)2	119.5026	1.704	10	119.5026	2.903	10	119.5026	2.903	10	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNN){1|H<1>,4|C<3>}	N(CC[6a]N)(H)2	117.7120	0.000	1	117.7120	0.000	1	119.5402	1.419	25	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNN){2|H<1>,3|C<3>}	N(CC[6a]N)(H)2	119.6164	1.153	24	119.6164	1.329	24	119.5402	1.419	25	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NCC)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCC)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	116.8017	0.352	3	116.8017	0.124	3	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NCH)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCH)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	117.8320	0.000	1	117.8320	0.000	1	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	120.1205	1.252	2	120.1205	1.568	2	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	121.5310	0.421	2	121.5310	0.178	2	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	120.3230	0.000	1	120.3230	0.000	1	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	121.3745	0.532	2	121.3745	0.284	2	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNN){1|C<3>,1|H<1>,1|S<2>}	N(CC[6a]N)(H)2	119.0985	0.395	2	119.0985	0.156	2	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN){1|C<3>,1|H<1>}	N(CC[6a]N)(H)2	119.3572	1.060	4	119.3572	1.124	4	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]N)(H)2	119.0545	0.384	2	119.8708	0.626	120	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	119.9339	0.771	104	119.8708	0.626	120	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN){1|H<1>,2|C<3>}	N(CC[6a]N)(H)2	119.6306	0.861	12	119.8708	0.626	120	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN){1|N<2>,2|H<1>}	N(CC[6a]N)(H)2	118.8470	0.625	2	119.8708	0.626	120	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NPdO)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPdO)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	119.0830	0.000	1	119.0830	0.000	1	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NPdO)(NHH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPdO)(NHH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	124.0935	0.258	2	124.0935	0.067	2	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NPtO)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPtO)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	118.4857	1.000	12	118.4857	1.000	12	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NZnO)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NZnO)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	117.4045	0.185	2	117.4045	0.034	2	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NZnO)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NZnO)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	118.5903	0.591	3	118.5903	0.350	3	119.7096	1.343	157	119.0769	4.071	225	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN)	N(CC[6a]N)(OH)(H)	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OH)(H)	118.8820	0.000	1	118.8820	0.000	1	118.8820	0.000	1	118.8820	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CC[6a]O)(H)	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(NCC)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(NCC)(H)	113.0315	0.139	2	113.0315	0.019	2	113.0315	0.019	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	118.0420	0.110	2	118.0420	0.012	2	118.0420	0.012	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	N(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	N(CC[5a]C[6a])(CCO)(H)	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(CCO)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CCO)(H)	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	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)(CCO)(H)	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CBrC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CBrC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)2(H)	118.2420	0.556	2	118.2420	0.309	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(CCO)(H)	113.6470	0.000	1	113.6470	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CNO)(H)	115.6510	0.362	2	115.6510	0.131	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[5a]O)(CC[6a]C)(H)	118.3990	0.000	1	118.3990	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(H)	117.8143	3.190	3	117.8143	10.178	3	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CNO)(H)	112.9680	0.269	3	112.9680	0.072	3	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	N(CC[6a]C)2(H)	118.0120	0.000	1	118.0120	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)(H)	114.2150	2.453	7	114.2150	6.019	7	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)(H)	116.6710	0.901	2	116.6710	0.812	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)(H)	116.0000	1.783	2	116.0000	3.180	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)(H)	117.3535	0.623	2	117.3535	0.388	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(COO)(H)	113.0040	0.000	1	113.0040	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)(H)	112.4320	0.000	1	112.4320	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCO)(H)	115.2235	1.122	2	115.2235	1.259	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CHO)(H)	117.9880	0.000	1	117.9880	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CFH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CFH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)2(H)	115.9680	0.502	2	115.9680	0.252	2	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(COO)(H)	118.0530	0.000	1	118.0530	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CPdH)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CPdH)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	N(CC[6a]C)(CCO)(H)	113.1090	0.000	1	113.1090	0.000	1	115.6204	5.509	35	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(O)	122.4105	0.489	2	122.4105	0.239	2	122.4105	0.239	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(NCH)(H)	115.5645	3.912	2	115.5645	15.307	2	116.5137	10.356	3	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(NC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(NC[6a]H)(H)	118.4120	0.000	1	118.4120	0.000	1	116.5137	10.356	3	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	120.0680	0.772	2	120.0680	0.596	2	119.1707	1.226	28	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	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])(H)	119.1017	1.109	26	119.1017	1.231	26	119.1707	1.226	28	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(CCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CCO)(H)	113.6920	0.490	3	113.6920	0.240	3	113.6920	0.240	3	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	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])(H)	117.8265	0.914	2	117.8265	0.836	2	117.8265	0.836	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)2(NHN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(NPV)(H)	C(C[6a]C[6a]2)2(NHN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(NPV)(H)	120.2280	5.774	2	120.2280	33.342	2	120.2280	33.342	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)2(NC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)(O)	C(C[6a]C[6a]2)2(NC[6a]O)	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)(O)	122.8600	0.000	1	122.8600	0.000	1	120.1780	14.386	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)2(NC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]2)(O)	C(C[6a]C[6a]2)2(NC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]2)(O)	117.4960	0.000	1	117.4960	0.000	1	120.1780	14.386	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	120.1430	0.000	1	120.1430	0.000	1	119.3170	0.967	3	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(CC[6a]C)(H)	118.2290	0.000	1	118.2290	0.000	1	119.3170	0.967	3	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	119.5790	0.000	1	119.5790	0.000	1	119.3170	0.967	3	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	118.6494	1.769	13	118.6494	3.131	13	117.0424	15.709	17	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	118.8810	0.000	1	118.8810	0.000	1	117.0424	15.709	17	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	109.4660	1.520	3	109.4660	2.312	3	117.0424	15.709	17	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NC[6a]O)(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)(O)	124.6314	1.343	5	124.6314	1.804	5	124.4629	2.384	7	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NC[6a]O)(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)(O)	124.0415	2.568	2	124.0415	6.592	2	124.4629	2.384	7	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]Pt)(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CN[6]N)(H)	C(C[6a]C[6a]2)(NN[6]Pt)(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CN[6]N)(H)	111.9597	0.115	3	111.9597	0.013	3	113.0010	7.258	7	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NPdC)(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NPdC)(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC[6a]O)(H)	119.0110	0.000	1	119.0110	0.000	1	113.0010	7.258	7	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NPtN)(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CNN)(H)	C(C[6a]C[6a]2)(NPtN)(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CNN)(H)	112.0390	0.828	3	112.0390	0.685	3	113.0010	7.258	7	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-3:H-1:	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(OZn2)(H)	C(C[6a]C[6a]2)(NHH)(NHO)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(OZn2)(H)	119.9045	0.268	2	119.9045	0.072	2	119.9045	0.072	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]Zn)(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNN)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]Zn)(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]N)(H)	113.6930	0.000	1	113.6930	0.000	1	113.6930	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Cu)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	118.8500	0.342	2	118.8500	0.117	2	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NAl2)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NAl2)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	116.2960	0.000	1	116.2960	0.000	1	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	116.9360	0.202	2	116.9360	0.041	2	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	117.1820	0.000	1	117.1820	0.000	1	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	117.5400	0.000	1	117.5400	0.000	1	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NPdC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NPdC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	113.9147	1.244	3	113.9147	1.548	3	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NPdH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NPdH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	119.2510	0.000	1	119.2510	0.000	1	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)2	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	119.8896	1.698	7	119.8896	2.883	7	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Pd)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	114.5345	2.941	2	114.5345	8.649	2	117.5940	7.055	20	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a]W)	C[6a](C[6a]C[6a]H)2(CNP)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a]W)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]P)(H)	117.8720	0.000	1	117.8720	0.000	1	117.8720	0.000	1	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:P-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]Cr)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNP)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]Cr)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]P)(H)	117.6070	0.000	1	117.6070	0.000	1	117.7605	0.047	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:P-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]Mo)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNP)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]Mo)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]P)(H)	117.9140	0.000	1	117.9140	0.000	1	117.7605	0.047	2	117.3743	11.881	146	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CN)	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(COO)(NCH)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(COO)(NCH)	115.9780	0.403	2	115.9780	0.162	2	115.9780	0.162	2	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]N[6])(NC[6a]B[5])	C[6a](C[6a]C[6a]C)2(CBN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C(C[6a]C[6a]2)(BC[6a]N[6])(NC[6a]B[5])	C[6a](C[6a]C[6a]C)2(CBN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	113.6450	1.146	3	113.6450	1.313	3	113.6450	1.313	3	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]C)	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]B[5])(BC[6a]C)	C[6a](C[6a]C[6a]C)2(CBN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C(C[6a]C[6a]2)(NC[6a]B[5])(BC[6a]C)	C[6a](C[6a]C[6a]C)2(CBN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	115.4980	0.000	1	115.4980	0.000	1	115.4980	0.000	1	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CNO)	116.5110	0.000	1	116.5110	0.000	1	115.4234	0.508	5	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)2	115.1515	0.430	4	115.1515	0.185	4	115.4234	0.508	5	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]C)	116.3667	1.003	3	116.3667	1.006	3	116.3667	1.006	3	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:B[5]-3:	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]C[6])(B[5]O[5]2)	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	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])(B[5]O[5]2)	114.5230	0.000	1	114.5230	0.000	1	114.5230	0.000	1	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NFeC)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(CFeO)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CFeO)	120.6620	0.000	1	120.6620	0.000	1	120.0295	0.800	2	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NPdH)	C[6a](C[6a]C[6a]H)2(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(CPdN)	C(C[6a]C[6a]2)(NC[6a]C)(NPdH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CPdN)	119.3970	0.000	1	119.3970	0.000	1	120.0295	0.800	2	115.7412	3.732	18	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(NC[6a]C)	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])(CH3)	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	B-3:C-3:C-4:	C(C[6a]C[6a]2)(CB[5]Rh)(NBC)	C[6a](C[6a]C[6a]H)2(CCN)	N(BC[6a]Rh)(CC[6a]C)(CC3)	C(C[6a]C[6a]2)(CB[5]Rh)(NBC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(BC[6a]Rh)(CC[6a]C)(CC3)	123.3570	0.000	1	123.3570	0.000	1	122.5407	0.500	3	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	B-3:C-3:C-4:	C(C[6a]C[6a]2)(CRhH)(NBC)	C[6a](C[6a]C[6a]H)2(CCN)	N(BC[6a]Rh)(CC[6a]C)(CC3)	C(C[6a]C[6a]2)(CRhH)(NBC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(BC[6a]Rh)(CC[6a]C)(CC3)	122.1325	0.011	2	122.1325	0.000	2	122.5407	0.500	3	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(CC3)	116.4973	1.082	3	116.4973	1.170	3	116.8020	0.583	6	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(CCHH)	117.1550	0.000	1	117.1550	0.000	1	116.8020	0.583	6	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CHN)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CHN)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(CH3)	117.0825	0.128	2	117.0825	0.016	2	116.8020	0.583	6	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-3:C-3:S-4:	C(C[6a]C[6a]2)(CCoH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[5x3,5x5,20x6]Co)(CC[6a]C)(SCOO)	C(C[6a]C[6a]2)(CCoH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[5x3,5x5,20x6]Co)(CC[6a]C)(SCOO)	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCCH)	117.5350	0.000	1	117.5350	0.000	1	116.4447	1.149	7	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CH3)	116.2630	1.049	6	116.2630	1.101	6	116.4447	1.149	7	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	115.9890	0.091	2	115.9890	0.008	2	115.9890	0.008	2	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]Pt)(NCC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2(CH3)	C(C[6a]C[6a]2)(NC[6a]Pt)(NCC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2(CH3)	113.7955	0.586	2	113.7955	0.344	2	116.0775	7.336	4	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NPtH)(NCC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)2(CH3)	C(C[6a]C[6a]2)(NPtH)(NCC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)2(CH3)	118.3595	0.913	2	118.3595	0.833	2	116.0775	7.336	4	117.3323	5.763	24	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CCHH)(H)	119.6350	0.905	3	119.6350	0.818	3	118.6368	1.714	6	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CC[6a]CH)(H)	117.6387	0.692	3	117.6387	0.479	3	118.6368	1.714	6	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]N)	N(CC[6a]C[5])(SiC3)(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(SiC3)(H)	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(CCHH)(H)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CCHH)(H)	117.7800	0.000	1	117.7800	0.000	1	117.7800	0.000	1	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)(H)	116.3550	0.000	1	116.3550	0.000	1	116.2142	2.444	6	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)(H)	116.1830	3.468	2	116.1830	12.025	2	116.2142	2.444	6	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCS)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)(H)	116.5270	0.000	1	116.5270	0.000	1	116.2142	2.444	6	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCCH)(H)	116.0185	0.032	2	116.0185	0.001	2	116.2142	2.444	6	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CCCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CCCH)(H)	118.4458	0.932	6	118.4458	0.868	6	118.5011	0.477	15	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CCHH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CCHH)(H)	118.3272	0.376	5	118.3272	0.141	5	118.5011	0.477	15	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	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)(H)	118.8012	0.643	4	118.8012	0.414	4	118.5011	0.477	15	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(CCCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CCCH)(H)	120.5005	0.042	2	120.5005	0.002	2	118.4730	5.501	4	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CCHH)(H)	116.6170	0.000	1	116.6170	0.000	1	118.4730	5.501	4	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(CC[6a]HH)(H)	116.2740	0.000	1	116.2740	0.000	1	118.4730	5.501	4	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(NCH)	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(CC[6a]2)(CCHH)(H)	122.2710	0.000	1	122.3513	0.117	3	119.7906	8.579	10	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(NCH)	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)(CCHH)(H)	122.3915	0.473	2	122.3513	0.117	3	119.7906	8.579	10	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CC3)(H)	120.9177	0.572	4	120.9177	0.328	4	119.7906	8.579	10	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCHH)(H)	115.7270	0.923	3	115.7270	0.853	3	119.7906	8.579	10	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CCCH)(O)	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CCCH)(O)	120.9257	1.498	6	120.9257	2.245	6	120.9027	2.691	8	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]2)(CH3)(O)	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]2)(CH3)(O)	120.8340	2.756	2	120.8340	7.597	2	120.9027	2.691	8	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNN)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNN){1|H<1>,4|C<3>}	N(CC[6a]N)(CCCH)(H)	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)(H)	118.2610	0.000	1	118.2610	0.000	1	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]2)2(CNN)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]2)2(CNN){2|H<1>,5|C<3>}	N(CC[6a]N)(CCCH)(H)	119.5755	4.699	2	119.5755	22.078	2	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)(H)	121.8275	1.092	2	121.8275	1.194	2	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)(H)	119.8233	0.868	4	119.8233	0.754	4	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,1|H<1>,1|N<4>}	N(CC[6a]N)(CCHH)(H)	118.5765	0.569	2	119.6173	4.300	6	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCHH)(H)	120.1377	2.445	4	119.6173	4.300	6	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NHfSi)(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NHfSi)(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]N)(CC3)(H)	119.6000	0.000	1	119.6000	0.000	1	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NPtH)(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NPtH)(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCHH)(H)	120.4130	0.000	1	120.4130	0.000	1	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NSiTh)(NCH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NSiTh)(NCH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CC3)(H)	120.6560	0.000	1	120.6560	0.000	1	119.9296	3.457	18	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[4]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	C[6a](C[6a]C[6a]H)2(CN[4]N)	N(CC[6a]N[4])(CC3)(H)	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	C[6a](C[6a]C[6a]H)2(CN[4]N){1|C<3>,2|H<1>}	N(CC[6a]N[4])(CC3)(H)	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	119.0755	4.727	71	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:S-2:	C(C[6a]C[6a]2)(NFeC)(NCS)	C[6a](C[6a]C[6a]C)2(CNN)	N(CC[6a]N)(CCCH)(SFe)	C(C[6a]C[6a]2)(NFeC)(NCS)	C[6a](C[6a]C[6a]C)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)(SFe)	117.1985	0.168	2	117.1985	0.028	2	117.1985	0.028	2	117.1985	0.028	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(CC[6a]C)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]C)(CCHH)(CCH)	112.4250	0.000	1	112.4250	0.000	1	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)(CCO)	116.7070	0.000	1	116.7070	0.000	1	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)(CNO)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)(CNO)	115.4890	0.000	1	115.4890	0.000	1	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)(COO)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)(COO)	115.5835	0.564	2	115.5835	0.318	2	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)(CCO)	113.9360	0.320	2	113.9360	0.102	2	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)(CCO)	114.9650	0.000	1	114.9650	0.000	1	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CHH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CCHH)(CCO)	C(C[6a]C[6a]2)(CHH)(NCC)	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)(CCHH)(CCO)	114.5190	0.000	1	114.5190	0.000	1	114.7938	1.625	9	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-3:S-4:C-3:	C(C[6a]C[6a]2)(CCoH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCoH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	115.0338	2.020	10	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(SC[6a]OO)(CH3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(SC[6a]OO)(CH3)	113.3210	0.000	1	113.3210	0.000	1	115.4825	9.344	2	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(SC[6a]OO)(CH3)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(SC[6a]OO)(CH3)	117.6440	0.000	1	117.6440	0.000	1	115.4825	9.344	2	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:C-4:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(SCOO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(SCOO)(CH3)	116.6440	0.000	1	116.6440	0.000	1	116.1040	0.175	4	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:C-4:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(SC[6a]OO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(SC[6a]OO)(CH3)	115.9240	0.261	3	115.9240	0.068	3	116.1040	0.175	4	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:S-4:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(NSS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(SC[6a]OO)2	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(NSS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(SC[6a]OO)2	113.1660	0.000	1	113.1660	0.000	1	113.1660	0.000	1	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)2	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)2	118.1370	0.000	1	118.1370	0.000	1	117.1361	1.906	8	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)2	118.5500	0.000	1	118.5500	0.000	1	117.1361	1.906	8	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)2	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)2	114.5230	0.000	1	114.5230	0.000	1	117.1361	1.906	8	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)2	116.8900	0.789	4	116.8900	0.623	4	117.1361	1.906	8	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CClC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CClC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)2	118.3190	0.000	1	118.3190	0.000	1	117.1361	1.906	8	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CH3)2	C(C[6a]C[6a]2)(NCC)(NHH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CH3)2	121.2927	1.332	3	121.2927	1.773	3	121.3008	3.814	13	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCCH)(CH3)	121.7100	2.232	8	121.7100	4.982	8	121.3008	3.814	13	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)2	C(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCHH)2	119.6760	0.851	2	119.6760	0.725	2	121.3008	3.814	13	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Ge-4:C-4:	C(C[6a]C[6a]2)(NCoC)(NGeC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(GeCo2N)(CCCH)	C(C[6a]C[6a]2)(NCoC)(NGeC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(GeCo2N)(CCCH)	117.4430	0.000	1	117.4430	0.000	1	117.2501	0.306	7	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Ge-4:C-4:	C(C[6a]C[6a]2)(NGeC)(NMnC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(GeMnCF)(CCCH)	C(C[6a]C[6a]2)(NGeC)(NMnC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(GeMnCF)(CCCH)	117.5310	0.000	1	117.5310	0.000	1	117.2501	0.306	7	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Ge-4:C-4:	C(C[6a]C[6a]2)(NGeC)(NRuC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(GeRu2C)(CCCH)	C(C[6a]C[6a]2)(NGeC)(NRuC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(GeRu2C)(CCCH)	116.7920	0.000	1	116.7920	0.000	1	117.2501	0.306	7	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Ge-4:C-4:	C(C[6a]C[6a]2)(NGeC)(NRuC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(GeRu2N)(CCCH)	C(C[6a]C[6a]2)(NGeC)(NRuC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(GeRu2N)(CCCH)	117.2463	0.709	4	117.2463	0.503	4	117.2501	0.306	7	118.3799	7.874	35	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(H)	116.8450	1.597	2	116.8450	2.549	2	116.7410	11.877	6	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(H)	118.7810	1.464	3	118.7810	2.143	3	116.7410	11.877	6	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCS)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(H)	110.4130	0.000	1	110.4130	0.000	1	116.7410	11.877	6	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CCH)(NCO)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CCH)(NCO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(O)	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(H)	114.3235	1.848	2	114.3235	3.414	2	114.1180	1.834	3	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(H)	113.7070	0.000	1	113.7070	0.000	1	114.1180	1.834	3	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[3]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[3]C[3]2H)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[3]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(C[3]C[3]2H)(CC[6a]C[5])(H)	119.4590	0.000	1	119.4590	0.000	1	119.4590	0.000	1	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N)	N(CC[6a]HH)(CC[6a]2)(O)	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]2)(O)	120.6500	0.000	1	120.6500	0.000	1	120.6345	0.000	2	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(CC[6a]HH)(CC[6a]2)(O)	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]2)(O)	120.6190	0.000	1	120.6190	0.000	1	120.6345	0.000	2	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:O-1:	C(C[6a]C[6a]2)2(NC[3]O)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]2)(O)	C(C[6a]C[6a]2)2(NC[3]O)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(C[3]C[3]2H)(CC[6a]2)(O)	120.6130	3.403	2	120.6130	11.578	2	120.6130	11.578	2	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6]C[6]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]C)(H)	118.3725	1.818	2	118.3725	3.305	2	118.3725	3.305	2	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]2)2(CNN)	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]2)2(CNN){2|H<1>,5|C<3>}	N(CC[6a]CH)(CC[6a]N)(H)	120.5075	1.214	2	120.5075	1.474	2	120.5558	1.255	4	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]N)(H)	120.6040	1.510	2	120.6040	2.281	2	120.5558	1.255	4	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Cr)(NHP)	C[6a](C[6a]C[6a]H)2(CNN)	N(PC[6a]2Cr)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cr)(NHP)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(PC[6a]2Cr)(CC[6a]N)(H)	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	118.1523	10.809	22	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	113.4000	0.892	2	113.4000	0.796	2	114.8936	1.022	9	114.8936	1.022	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]CH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)(CCO)	114.9170	0.000	1	114.9170	0.000	1	114.8936	1.022	9	114.8936	1.022	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	115.7715	0.118	2	115.7715	0.014	2	114.8936	1.022	9	114.8936	1.022	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	114.4050	0.000	1	114.4050	0.000	1	114.8936	1.022	9	114.8936	1.022	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	115.6180	0.000	1	115.6180	0.000	1	114.8936	1.022	9	114.8936	1.022	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CHS)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CHS)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CCO)	115.3795	0.359	2	115.3795	0.129	2	114.8936	1.022	9	114.8936	1.022	9	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(CCHH)	116.4170	0.000	1	116.4170	0.000	1	116.2140	0.082	2	116.4910	0.271	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(CCHH)	116.0110	0.000	1	116.0110	0.000	1	116.2140	0.082	2	116.4910	0.271	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]C)(CH3)	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	116.4910	0.271	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)2(CC[6a]C)	113.4590	0.000	1	113.4590	0.000	1	114.2590	1.280	2	114.2590	1.280	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:S-4:C-3:	C(C[6a]C[6a]2)(CSe2)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CSe2)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)2(CC[6a]C)	115.0590	0.000	1	115.0590	0.000	1	114.2590	1.280	2	114.2590	1.280	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:3:	3:3:3:	5:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	Si-5:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Li)(NSiH)	C[6a](C[6a]C[6a]H)2(CNN)	N(SiLiCNN)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Li)(NSiH)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(SiLiCNN)(CC[6a]N)(H)	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:N-3:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	114.1675	35.188	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(O)	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	114.1675	35.188	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:2:3:	3:2:1:	C[6a]-3:C-4:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC)(H)	116.6150	0.249	4	116.6150	0.062	4	116.6150	0.062	4	116.6150	0.062	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:N-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,2|N<2>}	N(CC[6a]C)(H)2	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	120.1318	0.574	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	119.6010	0.000	1	119.6010	0.000	1	120.2930	0.591	4	120.1318	0.574	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[6a]N[6a]O)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|C<4>}	N(CC[6a]C)(H)2	119.6540	0.000	1	119.6540	0.000	1	120.2930	0.591	4	120.1318	0.574	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NHH)	C[6a](C[6a]N[6a]O)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|C<4>}	N(CC[6a]C)(H)2	120.9585	0.037	2	120.9585	0.001	2	120.2930	0.591	4	120.1318	0.574	5	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CC[6a]O)(H)	112.4095	0.723	2	112.4095	0.523	2	112.4095	0.523	2	112.4095	0.523	2	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:P-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(NCC)	C[6a](C[6a]C[6a]H)2(CNP)	N(CC[6a]O)(CC[6a]P)(CH3)	C(C[6a]C[6a]2)(PC[6a]3)(NCC)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(CC[6a]O)(CC[6a]P)(CH3)	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	118.2440	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CBHH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CBHH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCCH)(H)	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:B-4:N-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]2)(BF3)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CBN)	N(CC[6a]B)(CC3)(CH3)	C(C[6a]C[6a,6a]2)(BF3)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CBN){2|H<1>,5|C<3>}	N(CC[6a]B)(CC3)(CH3)	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	113.9458	4.074	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:N-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NLi3)(NCC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)(CH3)	C(C[6a]C[6a]2)(NLi3)(NCC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCHH)(CH3)	113.0697	1.227	3	113.0697	1.506	3	113.0697	1.506	3	113.9458	4.074	4	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CBCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)(H)	119.8210	0.000	1	119.8210	0.000	1	119.6920	0.026	3	119.6920	0.026	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(H)	119.6275	0.163	2	119.6275	0.027	2	119.6920	0.026	3	119.6920	0.026	3	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:4:3:	3:3:3:	4:4:3:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:B-4:C-3:	C(C[6a]C[6a]2)(CH3)(NBC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(NBC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	3:6:3:	3:3:3:	3:4:4:	C[6a]-3:P-6:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(PF5)(NCC)	C[6a](C[6a]C[6a]H)2(CNP)	N(CC[6a]P)(CH3)2	C(C[6a]C[6a]2)(PF5)(NCC)	C[6a](C[6a]C[6a]H)2(CNP){1|C<3>,2|H<1>}	N(CC[6a]P)(CH3)2	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP2	C	C[6a]	N	6:3:3:	3:3:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	C[6a](CC[5x3,5x5,20x6]N)(C[6a]C[6a]H)2	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	C[6a](CC[5x3,5x5,20x6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	116.7772	5.514	7511	116.7772	5.514	7511
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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(CC[6a]N)(H)2	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(N)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(N)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	117.1768	1.958	10	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(H)2	119.8710	0.000	1	119.8710	0.000	1	117.3648	2.145	8	117.1768	1.958	10	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(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)2	116.8003	0.889	3	116.8003	0.790	3	117.3648	2.145	8	117.1768	1.958	10	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(H)2	117.7770	0.000	1	117.1615	2.010	4	117.3648	2.145	8	117.1768	1.958	10	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(H)2	116.9563	1.662	3	117.1615	2.010	4	117.3648	2.145	8	117.1768	1.958	10	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	N(CC[6a]S)(H)2	115.6520	0.000	1	115.6520	0.000	1	115.6520	0.000	1	117.1768	1.958	10	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC)(H)	116.5070	0.000	1	116.5070	0.000	1	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]O)(NC)(H)	115.0375	0.575	2	115.7747	1.196	15	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC)(H)	116.1805	1.026	10	115.7747	1.196	15	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NC)(H)	115.6630	0.000	1	115.7747	1.196	15	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC)(H)	114.5385	1.063	2	115.7747	1.196	15	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	115.5645	1.546	2	114.6223	3.859	3	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NC[5])(H)	112.7380	0.000	1	114.6223	3.859	3	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[5a])(H)	114.8900	0.000	1	114.8900	0.000	1	115.5942	1.532	20	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OH)(H)	115.4640	0.000	1	114.7715	0.959	2	114.7715	0.959	2	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(OH)(H)	114.0790	0.000	1	114.7715	0.959	2	114.7715	0.959	2	115.5194	1.490	22	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(NOO)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(OC)2	C(C[6a]C[6a]2)(NOO)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(OC)2	115.6190	0.617	2	115.6190	0.380	2	115.6190	0.380	2	115.6190	0.380	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:C-4:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[5])(CH3)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NC[5])(CH3)	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(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)(H)	114.6200	0.000	2	114.6200	0.000	2	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	114.3810	0.000	1	114.3810	0.000	1	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]O)(CNS)(H)	114.3560	0.000	1	115.1143	1.495	12	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CNS)(H)	115.4524	0.866	7	115.1143	1.495	12	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|N<3>}	N(CC[6a]O)(CNS)(H)	112.2190	0.000	1	115.1143	1.495	12	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CNS)(H)	115.0635	0.500	2	115.1143	1.495	12	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(CNS)(H)	116.5030	0.000	1	115.1143	1.495	12	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CN[6]S)(H)	117.2305	0.880	2	117.2305	0.775	2	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CSeN)(H)	115.0400	0.342	2	115.0400	0.117	2	115.2386	1.502	19	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NCH)(H)	115.9700	0.000	1	115.9700	0.000	1	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NCH)(H)	115.1975	0.062	2	115.1975	0.004	2	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCC)(H)	115.8440	0.000	1	115.4645	0.288	2	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(NCC)(H)	115.0850	0.000	1	115.4645	0.288	2	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]O)(NCH)(H)	114.8420	0.000	1	115.5044	1.272	7	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCH)(H)	116.5163	0.621	3	115.5044	1.272	7	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|H<1>,2|C<3>}	N(CC[6a]O)(NCH)(H)	115.5170	0.000	1	115.5044	1.272	7	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|N<2>,2|H<1>}	N(CC[6a]O)(NCH)(H)	114.3115	0.709	2	115.5044	1.272	7	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]2)(H)	115.3870	0.000	1	115.3870	0.000	1	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC[6a]H)(H)	115.6560	0.000	1	115.6560	0.000	1	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCuC)(H)	115.9280	0.000	1	115.9280	0.000	1	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NHH)(H)	114.5260	0.000	1	114.5260	0.000	1	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	N(CC[6a]O)(NC[6a]H)(H)	114.2390	1.410	2	114.2390	1.988	2	115.3222	0.829	18	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.3490	0.000	1	114.3490	0.000	1	115.6417	0.619	9	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]F)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	115.1390	0.000	1	115.1390	0.000	1	115.6417	0.619	9	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.9780	0.000	1	115.9780	0.000	1	115.6417	0.619	9	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	115.0330	0.000	1	115.0330	0.000	1	115.6417	0.619	9	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(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)(H)	116.0552	0.650	5	116.0552	0.423	5	115.6417	0.619	9	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	114.8340	0.000	1	114.8340	0.000	1	115.0620	0.104	2	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(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)(H)	115.2900	0.000	1	115.2900	0.000	1	115.0620	0.104	2	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(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)(H)	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	115.3515	0.975	50	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	118.5465	16.849	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(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)(OC)	115.6440	0.000	1	115.6440	0.000	1	115.6440	0.000	1	118.5465	16.849	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	N(C[6a]N[6a]2)(CC[6a]O)2	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(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[6a]N[6a]2)(CC[6a]O)2	116.8247	1.001	4	116.8247	1.002	4	116.8247	1.002	4	116.8589	1.115	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(COO)2	C(C[6a]C[6a]2)(NCC)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(COO)2	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	116.8589	1.115	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(COO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(COO)(NCC)	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	116.8589	1.115	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	116.8589	1.115	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NN[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NN[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	116.8589	1.115	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	117.2680	0.000	1	117.2680	0.000	1	117.4062	2.306	5	117.5133	1.914	6	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.6840	0.000	1	116.3310	0.249	2	117.4062	2.306	5	117.5133	1.914	6	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	115.9780	0.000	1	116.3310	0.249	2	117.4062	2.306	5	117.5133	1.914	6	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCCF)	117.1320	0.000	1	117.1320	0.000	1	117.4062	2.306	5	117.5133	1.914	6	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CCHH)	119.9690	0.000	1	119.9690	0.000	1	117.4062	2.306	5	117.5133	1.914	6	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NN[6]C)(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)(CCHH)	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	117.5133	1.914	6	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	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)(CCHH)(H)	119.1560	0.000	1	119.1560	0.000	1	117.4425	1.564	4	116.5331	2.230	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(H)	116.8713	0.623	3	116.8713	0.388	3	117.4425	1.564	4	116.5331	2.230	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NC3)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NC3)(H)	113.9160	0.000	1	113.9160	0.000	1	115.6238	1.435	4	116.5331	2.230	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NCHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(NCHH)(H)	116.5910	0.000	1	116.5910	0.000	1	115.6238	1.435	4	116.5331	2.230	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|O<2>}	N(CC[6a]O)(NH3)(H)	115.9940	0.423	2	115.9940	0.179	2	115.6238	1.435	4	116.5331	2.230	8	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]O)(CH3)(NC)	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]O)(CCCH)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)(CCCH)(NCH)	118.5755	0.295	2	118.5755	0.087	2	118.5755	0.087	2	118.2763	0.312	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6]C)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	118.2763	0.312	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	N(CC[6a]H)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N(CC[6a]H)(CCCH)(CH3)	118.8980	0.000	2	118.8980	0.000	2	118.8980	0.000	2	118.8980	0.000	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)(H)	116.7760	0.000	1	116.7760	0.000	1	116.5870	0.027	3	116.3556	2.288	7	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(CC[6a]2C)(CC[6a]O)(H)	116.4925	0.019	2	116.4925	0.000	2	116.5870	0.027	3	116.3556	2.288	7	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,1|C<4>,1|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	113.2110	0.000	1	116.1820	4.464	4	116.1820	4.464	4	116.3556	2.288	7	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	116.6530	0.057	2	116.1820	4.464	4	116.1820	4.464	4	116.3556	2.288	7	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(SC[6a]OO)(CC[6a]O)(H)	118.2110	0.000	1	116.1820	4.464	4	116.1820	4.464	4	116.3556	2.288	7	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:N-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	119.6230	2.207	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:O-2:	C(C[6a]C[6a]2)(NC[4]O)(O)	C[6a](C[6a]C[6a]H)2(CNO)	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[4]O)(O)	C[6a](C[6a]C[6a]H)2(CNO){1|C<3>,2|H<1>}	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	119.6230	2.207	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO)	N(C[6]C[6]2H)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[6]O)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(OC)	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	119.6230	2.207	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	116.3543	0.334	3	116.3543	0.111	3	116.3543	0.111	3	116.3543	0.111	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	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(C[6a]C[6a]N[6a])(CC[6a]N)(H)	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[4,6a]-3:C[6a]-3:C-3:	C-3:H-1: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)2	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)2	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:Cl-1:	C(C[6a]C[6a]2)(NCl2)(NCl)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(Cl)2	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)2	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NH)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)2	116.0510	0.000	1	116.0510	0.000	1	118.3541	1.983	10	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	115.7480	0.000	1	115.7480	0.000	1	118.3541	1.983	10	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	119.4860	0.000	1	119.4860	0.000	1	118.3541	1.983	10	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	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)(H)2	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)(H)2	118.5660	0.000	1	118.5660	0.000	1	118.3541	1.983	10	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	119.0148	0.738	5	118.9483	0.462	6	118.3541	1.983	10	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	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)(H)2	118.6160	0.000	1	118.9483	0.462	6	118.3541	1.983	10	118.0373	3.504	12	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	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)(H)	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)(H)	113.5430	0.014	2	113.5430	0.000	2	113.5430	0.000	2	113.4460	7.948	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	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)(H)	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)(H)	109.8990	0.000	1	109.8990	0.000	1	113.3490	23.805	2	113.4460	7.948	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	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)(H)	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)(H)	116.7990	0.000	1	116.7990	0.000	1	113.3490	23.805	2	113.4460	7.948	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	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)(CNO)	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)(CNO)	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4,5]-4: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(Si[4,5]C[5,6a]Si[4,5]C[4])(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(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	120.6185	0.092	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	C[6a](C[6a]C[6a]H)2(CNN)	N(Si[4]N[4]2C)(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(Si[4]N[4]2C)(CC[6a]N)(CCCH)	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.6185	0.092	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]N)(H)2	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	114.9910	0.000	1	114.9910	0.000	1	114.8093	0.069	3	115.6738	4.686	5	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(H)2	114.7185	0.299	2	114.7185	0.089	2	114.8093	0.069	3	115.6738	4.686	5	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	114.4210	0.000	1	114.4210	0.000	1	116.9705	13.000	2	115.6738	4.686	5	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(H)2	119.5200	0.000	1	119.5200	0.000	1	116.9705	13.000	2	115.6738	4.686	5	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	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])(H)	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(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)(CH3)	115.6185	0.189	2	115.6185	0.036	2	116.5880	2.838	3	116.8920	2.261	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	118.5270	0.000	1	118.5270	0.000	1	116.5880	2.838	3	116.8920	2.261	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:C-4:	C(C[6a]C[6a]2)(NFeC)(NCN)	C[6a](C[6a]C[6a]C)2(CNN)	N(NC[6a]Fe)(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NFeC)(NCN)	C[6a](C[6a]C[6a]C)2(CNN){1|C<3>,2|H<1>}	N(NC[6a]Fe)(CC[6a]N)(CCCH)	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	116.8920	2.261	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]N)	N(CC[6a]C[5])(SCOO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(SCOO)(H)	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	117.6382	4.128	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CCHH)(H)	118.8580	0.000	1	118.8580	0.000	1	117.1515	5.824	2	117.6382	4.128	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	N(CC[6a]C)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	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)(CC3)(H)	115.4450	0.000	1	115.4450	0.000	1	117.1515	5.824	2	117.6382	4.128	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	N(CC[6a]C[5])(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	N(CC[6a]C[5])(SC[6a]OO)(H)	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	117.6382	4.128	4	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]C)(CH3)(CNO)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]C)(CH3)(CNO)	116.8145	0.323	2	116.8145	0.104	2	116.8145	0.104	2	117.0010	0.157	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-3:S-4:C-3:	C(C[6a]C[6a]2)(CCoC)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCoC)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.0010	0.157	3	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:C-4:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	N(CC[6a]C[6])(SC[6a]OO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(SC[6a]OO)(CH3)	116.9250	2.669	2	116.9250	7.122	2	116.9250	7.122	2	116.9250	7.122	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(H)	116.5230	2.481	2	116.5230	6.153	2	116.5230	6.153	2	116.5230	6.153	2	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6a]C)(CCHH)	116.7390	0.000	1	116.7390	0.000	1	116.7390	0.000	1	116.7390	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,1|O<1>,1|O<2>}	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:N-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NLi3)(NCC)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)(CCHH)(CH3)	C(C[6a]C[6a]2)(NLi3)(NCC)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)(CCHH)(CH3)	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	116.3964	3.462	176	116.3964	3.462	176
930	643	956	0:SP2_SP2_SP3	C	C[6a]	N	3:4:3:	3:3:3:	4:3:4:	C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	N(CC[6a]HH)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CHHO)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)(CH3)	114.2480	0.000	1	114.2480	0.000	1	114.2480	0.000	1	114.2480	0.000	1	116.3964	3.462	176	116.3964	3.462	176