956	930	952	0:SP2_SP2_SP3	N	C	S	3:3:4:	3:3:1:	3:4:1:1:	C[6a]-3:C-3:S-4:	C[6a]-3:N-3:O-1:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(NC[6a]S)(O)	S(NC[6a]C)(CH3)(O)2	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(NC[6a]S)(O)	S(NC[6a]C)(CH3)(O)2	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:3:4:	3:3:3:	4:3:1:1:	S-3:C-3:S-4:	C[6a]-3:C-3:N-3:	C-4:N-3:O-1:O-1:	N(SC[5x3,5x5,20x6]Co)(CC[6a]C)(SCOO)	C(C[6a]C[6a]2)(CCoH)(NSS)	S(CH3)(NCS)(O)2	N(SC[5x3,5x5,20x6]Co)(CC[6a]C)(SCOO)	C(C[6a]C[6a]2)(CCoH)(NSS)	S(CH3)(NCS)(O)2	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:1:	3:3:1:	3:3:1:1:	C-3:S-4:H-1:	C[6a]-3:N-3:O-1:	N-3:N-3:O-1:O-1:	N(CC[6a]O)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(NCC)(NCH)(O)2	N(CC[6a]O)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(NCC)(NCH)(O)2	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:1:	3:3:1:	4:3:1:1:	C-3:S-4:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:O-1:O-1:	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(CCCH)(NCH)(O)2	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(CCCH)(NCH)(O)2	123.2950	0.000	1	123.2950	0.000	1	123.4526	0.859	7	123.4526	0.859	7	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:1:	3:3:1:	4:3:1:1:	C-3:S-4:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:O-1:O-1:	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(CH3)(NCH)(O)2	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(CH3)(NCH)(O)2	123.4788	1.013	6	123.4788	1.025	6	123.4526	0.859	7	123.4526	0.859	7	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:1:	3:3:2:	3:1:1:1:	C-3:S-4:H-1:	C[6a]-3:N-3:N-2:	N-3:Cl-1:O-1:O-1:	N(CC[6a]N)(SClOO)(H)	C(C[6a]C[6a]2)(NHS)(NH)	S(NCH)(Cl)(O)2	N(CC[6a]N)(SClOO)(H)	C(C[6a]C[6a]2)(NHS)(NH)	S(NCH)(Cl)(O)2	128.9030	0.000	1	128.9030	0.000	1	128.9030	0.000	1	128.9030	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:1:	3:3:3:	3:3:1:1:	C-3:S-4:H-1:	C[5a]-3:C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]C[5])(SC[6a]OO)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]C[5])(SC[6a]OO)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	124.7070	0.000	1	124.7070	0.000	1	124.7070	0.000	1	124.7070	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:1:	6:3:1:	3:3:1:1:	C-3:S-4:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[5]-3:S-4:C-3:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]S)(O)	S(C[6a]C[6a]2)(NC[5]C)(O)2	N(C[5]C[5]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]S)(O)	S(C[6a]C[6a]2)(NC[5]C)(O)2	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[5a]-3:S-4:C-3:	N-3:C-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCH)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCH)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[5]-3:N-3:H-1:	C[6]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	C(C[5]C[5]2)(NC[6a]S)(H)	S(C[6]C[6]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	C(C[5]C[5]2)(NC[6a]S)(H)	S(C[6]C[6]2)(NC[6a]C)(O)2	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[5]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C(C[5]C[5]2)(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C(C[5]C[5]2)(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	116.2668	0.621	4	116.2668	0.385	4	116.2668	0.385	4	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	113.0610	0.000	1	113.0610	0.000	1	113.0610	0.000	1	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	118.6342	0.907	4	118.6342	0.822	4	118.6342	0.822	4	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CBrC)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CBrC)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	115.7600	0.000	1	115.7600	0.000	1	117.9085	9.232	2	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCH)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCH)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	120.0570	0.000	1	120.0570	0.000	1	117.9085	9.232	2	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCH)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCH)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	119.6800	0.000	1	119.6800	0.000	1	119.6800	0.000	1	117.7154	4.090	15	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:2:	3:4:1:1:	C[6a]-3:S-4:C-3:	C-3:N-3:N-2:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	S(NC[6a]C)(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	S(NC[6a]C)(CH3)(O)2	118.2550	0.000	1	118.2550	0.000	1	118.2550	0.000	1	118.2550	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	N[5]-3:N-3:C-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	120.7385	0.768	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:3:3:	3:3:1:1:	S-3:S-4:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCoH)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCoH)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	120.7385	0.768	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:3:1:1:	C[5a]-3:S-4:C-3:	N-3:C-4:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	119.0790	0.000	1	119.0790	0.000	1	119.2455	0.055	2	118.8206	0.809	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:3:1:1:	C[5a]-3:S-4:C-3:	N-3:C-4:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CH3)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CH3)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	119.4120	0.000	1	119.4120	0.000	1	119.2455	0.055	2	118.8206	0.809	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCCH)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCCH)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	117.4290	0.000	1	117.4290	0.000	1	118.6790	1.026	6	118.8206	0.809	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCHH)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCHH)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	118.6070	0.627	4	118.6070	0.394	4	118.6790	1.026	6	118.8206	0.809	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C(NC[6a]S)(CH3)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C(NC[6a]S)(CH3)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	120.2170	0.000	1	120.2170	0.000	1	118.6790	1.026	6	118.8206	0.809	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:4:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:O-1:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(CCO)	C(NC[6a]S)(CH3)(O)	S(NC[6a]C)(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)(CCO)	C(NC[6a]S)(CH3)(O)	S(NC[6a]C)(CH3)(O)2	120.4320	0.366	2	120.4320	0.134	2	120.4320	0.134	2	120.4320	0.134	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:C-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CH3)(CHI)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CH3)(CHI)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:3:	3:4:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:C-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CCHH)(CHS)	S(NC[6a]C)(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CCHH)(CHS)	S(NC[6a]C)(CH3)(O)2	120.1100	0.000	1	120.1100	0.000	1	119.7910	0.204	2	119.7910	0.204	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	3:4:3:	3:4:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:C-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CHHS)(CCH)	S(NC[6a]C)(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CHHS)(CCH)	S(NC[6a]C)(CH3)(O)2	119.4720	0.000	1	119.4720	0.000	1	119.7910	0.204	2	119.7910	0.204	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	4:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[5a]C[6a]H)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[5a]C[6a]H)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	117.9160	0.229	4	117.9160	0.052	4	117.4194	0.536	8	117.4194	0.536	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	4:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]2H)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]2H)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	117.3960	0.000	2	117.3960	0.000	2	117.4194	0.536	8	117.4194	0.536	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	4:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	117.0530	0.000	1	117.0530	0.000	1	117.4194	0.536	8	117.4194	0.536	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:3:	4:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CS)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CS)(NC[6a]S)(O)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	115.8460	0.000	1	115.8460	0.000	1	117.4194	0.536	8	117.4194	0.536	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	3:3:1:1:	C-3:S-4:C-4:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[5])(SC[6a]OO)(CH3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]C[5])(SC[6a]OO)(CH3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	121.4580	0.000	1	121.4580	0.000	1	120.8030	0.858	2	119.7763	2.205	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	3:3:1:1:	C-3:S-4:C-4:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[5])(SC[6a]OO)(CH3)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]C[5])(SC[6a]OO)(CH3)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	120.1480	0.000	1	120.1480	0.000	1	120.8030	0.858	2	119.7763	2.205	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	3:3:1:1:	C-3:S-4:C-4:	C[5a]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]C[6])(SC[6a]OO)(CH3)	C(C[5a]C[5a]S[5a])(C[6]N[6]O[6])(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[5a]C[6])(SC[6a]OO)(CH3)	C(C[5a]C[5a]S[5a])(C[6]N[6]O[6])(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	119.7763	2.205	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	3:3:1:1:	C-3:S-4:C-4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[6])(SC[6a]OO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]C[6])(SC[6a]OO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	120.5020	1.387	3	120.5020	1.923	3	120.5020	1.923	3	119.7763	2.205	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	3:3:1:1:	C-3:S-4:S-4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[6])(SC[6a]OO)2	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(CC[6a]C[6])(SC[6a]OO)2	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	118.0180	0.594	2	118.0180	0.353	2	118.0180	0.353	2	119.7763	2.205	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	4:3:1:1:	C-3:S-4:C-4:	C[6]-3:C[6a]-3:N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]C[6])(SCOO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	S(CH3)(NCC)(O)2	N(CC[6a]C[6])(SCOO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	S(CH3)(NCC)(O)2	121.3250	0.000	1	121.3250	0.000	1	121.3250	0.000	1	121.0575	0.143	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	3:4:4:	3:3:3:	4:3:1:1:	C-3:S-4:C-4:	N[5]-3:C-3:N-3:	C-4:N-3:O-1:O-1:	N(CN[5]C)(SCOO)(CH3)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	S(CH3)(NCC)(O)2	N(CN[5]C)(SCOO)(CH3)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	S(CH3)(NCC)(O)2	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	121.0575	0.143	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	C(CCC)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	C(CCC)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	117.5570	0.000	1	117.5570	0.000	1	120.8434	3.568	5	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	122.0840	0.202	2	122.0840	0.041	2	120.8434	3.568	5	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]C)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	C(CC[6a]C)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	121.3690	0.000	1	121.3690	0.000	1	120.8434	3.568	5	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	121.1230	0.000	1	121.1230	0.000	1	120.8434	3.568	5	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CCC)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CCC)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.0810	0.000	1	123.0810	0.000	1	123.7952	1.422	11	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	124.8945	0.011	2	124.8945	0.000	2	123.7952	1.422	11	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.3180	1.021	7	123.3180	1.042	7	123.7952	1.422	11	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5])(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5])(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	125.6510	0.000	1	125.6510	0.000	1	123.7952	1.422	11	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[5]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]H)(H)	C(C[5]C[5,6a]2)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]H)(H)	C(C[5]C[5,6a]2)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[5a]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	125.6870	0.000	1	125.6870	0.000	1	125.6870	0.000	1	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:N-3:N-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(N)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(N)	S(C[6a]C[6a]2)(NCH)(O)2	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.3656	1.139	56	123.3656	1.297	56	123.3656	1.297	56	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[5a]C[5a]N[5a])(NCH)(O)2	N(SC[5a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[5a]C[5a]N[5a])(NCH)(O)2	123.1188	1.393	4	123.1188	1.941	4	123.1188	1.941	4	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	125.3338	2.540	41	125.3338	6.449	41	124.2005	5.846	78	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NC[6]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NC[6]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.5955	2.134	4	123.5955	4.554	4	124.2005	5.846	78	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.1746	0.973	10	123.1746	0.947	10	124.2005	5.846	78	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[6a]C[6a]N[6a])(NCH)(O)2	121.8550	0.359	6	121.8550	0.129	6	124.2005	5.846	78	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NHN)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NHN)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	122.9508	1.850	14	122.9508	3.424	14	124.2005	5.846	78	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NN[5]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NN[5]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.4617	1.350	3	123.4617	1.823	3	124.2005	5.846	78	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:N-3:O-1:O-1:	N(SNOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(NC[6a]H)(NCH)(O)2	N(SNOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(NC[6a]H)(NCH)(O)2	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N[5]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.5647	1.078	3	123.5647	1.162	3	123.5647	1.162	3	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N[5]-3:N-3:O-1:	N[5]-3:N-3:O-1:O-1:	N(SN[5]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	S(N[5]C[5]2)(NCH)(O)2	N(SN[5]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	S(N[5]C[5]2)(NCH)(O)2	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	123.7377	3.948	162	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	4:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	S(CH3)(NCH)(O)2	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	S(CH3)(NCH)(O)2	122.3640	0.000	1	122.3640	0.000	1	122.9360	0.654	2	124.0343	3.946	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	4:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	S(CH3)(NCH)(O)2	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	S(CH3)(NCH)(O)2	123.5080	0.000	1	123.5080	0.000	1	122.9360	0.654	2	124.0343	3.946	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:1:	4:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(CC[6a]HH)(NCH)(O)2	N(SCOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(CC[6a]HH)(NCH)(O)2	126.2310	0.000	1	126.2310	0.000	1	126.2310	0.000	1	124.0343	3.946	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:2:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:S-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCS)(H)	C(CCC)(NHS)(SC)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCS)(H)	C(CCC)(NHS)(SC)	S(C[6a]C[6a]2)(NCH)(O)2	128.6820	0.000	1	128.6820	0.000	1	128.6820	0.000	1	128.6820	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	119.9940	0.000	1	119.9940	0.000	1	122.4460	4.622	3	123.4317	5.238	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]2)(CC[6a]O)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CC[6a]2)(CC[6a]O)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	123.3360	0.000	1	123.3360	0.000	1	122.4460	4.622	3	123.4317	5.238	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CHH)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CHH)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	124.0080	0.000	1	124.0080	0.000	1	122.4460	4.622	3	123.4317	5.238	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[5]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	123.0625	0.100	2	123.0625	0.010	2	123.0625	0.010	2	123.4317	5.238	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	124.1690	4.267	2	124.1690	18.205	2	124.6637	9.836	3	123.4317	5.238	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	125.6530	0.000	1	125.6530	0.000	1	124.6637	9.836	3	123.4317	5.238	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:4:3:	3:2:1:1:	S-4:C-3:H-1:	C-3:C-4:N-3:	N-3:O-2:O-1:O-1:	N(SO3)(CCC)(H)	C(CC[6a]C)(CCHH)(NHS)	S(NCH)(OC)(O)2	N(SO3)(CCC)(H)	C(CC[6a]C)(CCHH)(NHS)	S(NCH)(OC)(O)2	128.5630	0.000	1	128.5630	0.000	1	128.5630	0.000	1	128.5630	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	3:4:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]P[6])(CH3)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CC[6a]P[6])(CH3)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	129.1620	0.000	1	129.1620	0.000	1	129.1620	0.000	1	129.1620	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	2:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	O-2:N-3:O-1:O-1:	N(SO3)(CCO)(H)	C(CH3)(NHS)(O)	S(OC[6a])(NCH)(O)2	N(SO3)(CCO)(H)	C(CH3)(NHS)(O)	S(OC[6a])(NCH)(O)2	125.3290	0.000	1	125.3290	0.000	1	125.3290	0.000	1	127.4460	8.963	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	2:3:1:1:	S-4:C-3:H-1:	C-4:N-3:S-1:	O-2:N-3:O-1:O-1:	N(SO3)(CCS)(H)	C(CH3)(NHS)(S)	S(OC[6a])(NCH)(O)2	N(SO3)(CCS)(H)	C(CH3)(NHS)(S)	S(OC[6a])(NCH)(O)2	129.5630	0.000	1	129.5630	0.000	1	129.5630	0.000	1	127.4460	8.963	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CC3)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CC3)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.6645	0.412	6	123.6645	0.170	6	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CCCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CCCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	125.2093	0.581	3	125.2093	0.337	3	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	124.8945	0.514	8	124.8945	0.264	8	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5]H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	125.4030	0.000	1	125.4030	0.000	1	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CCl2H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CCl2H)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.8910	0.679	3	123.8910	0.461	3	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CClHH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CClHH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.2850	0.000	1	123.2850	0.000	1	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CH3)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CH3)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	123.8411	0.674	15	123.8411	0.454	15	124.1824	0.661	37	124.1824	0.661	37	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:2:	3:3:1:	3:3:1:1:	S-4:C-3:N-2:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:O-1:O-1:	N(SC[6]OO)(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NNS)(O)	S(C[6]C[6]2)(NCN)(O)2	N(SC[6]OO)(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NNS)(O)	S(C[6]C[6]2)(NCN)(O)2	120.3950	0.000	1	120.3950	0.000	1	120.3950	0.000	1	120.3950	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:2:	3:3:3:	3:3:1:1:	S-4:C-3:C-2:	N[5]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]I)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]I)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:2:	4:3:1:	3:3:1:1:	S-4:C-3:N-2:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(NC)	C(CCHH)(NNS)(O)	S(C[6a]C[6a]2)(NCN)(O)2	N(SC[6a]OO)(CCO)(NC)	C(CCHH)(NNS)(O)	S(C[6a]C[6a]2)(NCN)(O)2	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:3:	3:2:1:	4:3:1:1:	S-4:C-3:N-3:	N-3:O-2:O-1:	C-4:N-3:O-1:O-1:	N(SCOO)(COO)(NCH)	C(NNS)(OC)(O)	S(CH3)(NCN)(O)2	N(SCOO)(COO)(NCH)	C(NNS)(OC)(O)	S(CH3)(NCN)(O)2	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:3:	3:3:2:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	118.0730	0.146	2	118.0730	0.021	2	118.0730	0.021	2	118.0730	0.021	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:3:	4:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	118.7660	0.305	2	118.7660	0.093	2	118.4230	0.189	4	118.6140	0.236	6	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:3:	4:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(CCO)	C(CHHO)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6a]C)(CCO)	C(CHHO)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	118.0800	0.065	2	118.0800	0.004	2	118.4230	0.189	4	118.6140	0.236	6	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:3:	4:3:1:	3:3:1:1:	S-4:C-3:N-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(NHH)	C(CCHH)(NNS)(O)	S(C[6a]C[6a]2)(NCN)(O)2	N(SC[6a]OO)(CCO)(NHH)	C(CCHH)(NNS)(O)	S(C[6a]C[6a]2)(NCN)(O)2	118.9960	0.419	2	118.9960	0.175	2	118.9960	0.175	2	118.6140	0.236	6	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:3:	4:3:3:	3:3:1:1:	S-4:C-3:C-3:	C-4:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(CHH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(CHH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	118.5650	0.006	2	118.5650	0.000	2	118.5650	0.000	2	118.5650	0.000	2	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:1:	3:3:1:1:	S-4:C-3:C-4:	C[4]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[4]H)(CCHH)	C(C[4]C[4]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[4]H)(CCHH)	C(C[4]C[4]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	117.6300	2.488	2	117.6300	6.188	2	117.6300	6.188	2	117.2080	1.760	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:1:	3:3:1:1:	S-4:C-3:C-4:	C[5]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]H)(CCCH)	C(C[5]C[5]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[5]H)(CCCH)	C(C[5]C[5]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	116.7120	0.000	1	116.7120	0.000	1	116.7195	0.000	2	117.2080	1.760	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:1:	3:3:1:1:	S-4:C-3:C-4:	C[5]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]H)(CCHH)	C(C[5]C[5]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[5]H)(CCHH)	C(C[5]C[5]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	116.7270	0.000	1	116.7270	0.000	1	116.7195	0.000	2	117.2080	1.760	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:1:	3:3:1:1:	S-4:C-3:C-4:	C[5a]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5a]O)(CH3)	C(C[5a]C[5a]2)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[5a]O)(CH3)	C(C[5a]C[5a]2)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	117.2080	1.760	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:1:	4:3:1:1:	S-4:C-3:C-4:	C-3:N-3:Cl-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CClC)(CH3)	C(CC[6a]C)(NCS)(Cl)	S(CH3)(NCC)(O)2	N(SCOO)(CClC)(CH3)	C(CC[6a]C)(NCS)(Cl)	S(CH3)(NCC)(O)2	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	119.3240	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:3:	3:3:1:1:	S-4:C-3:C-4:	C[6]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]C)(CCHH)	C(C[6]N[6]O[6])(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6]C)(CCHH)	C(C[6]N[6]O[6])(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	119.9157	1.675	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:3:	3:3:1:1:	S-4:C-3:C-4:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	120.9290	0.000	1	120.9290	0.000	1	119.6935	3.053	2	119.9157	1.675	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	3:3:3:	3:3:1:1:	S-4:C-3:C-4:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	118.4580	0.000	1	118.4580	0.000	1	119.6935	3.053	2	119.9157	1.675	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:3:4:	4:3:1:	3:3:1:1:	S-4:C-3:C-4:	C[3]-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[3]O)(CCHH)	C(C[3]C[6a]C[3]2)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[3]O)(CCHH)	C(C[3]C[6a]C[3]2)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	2:3:3:	3:3:1:1:	S-4:S-4:C-3:	C-2:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CCC)	C(CC[6a])(CCO)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CCC)	C(CC[6a])(CCO)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	118.9045	3.030	2	118.9045	9.181	2	118.9045	9.181	2	118.7332	3.894	4	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	2:3:3:	3:3:1:1:	S-4:S-4:C-3:	Se-2:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CSeC)	C(SeC[6a])(CSe2)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CSeC)	C(SeC[6a])(CSe2)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	118.5620	1.544	2	118.5620	2.385	2	118.5620	2.385	2	118.7332	3.894	4	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	2:3:3:	4:3:1:1:	S-4:C-4:C-3:	N-2:C-3:N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(CCN)	C(NC[6a])(CCO)(NCS)	S(CH3)(NCC)(O)2	N(SCOO)(CH3)(CCN)	C(NC[6a])(CCO)(NCS)	S(CH3)(NCC)(O)2	123.9240	0.000	1	123.9240	0.000	1	123.9240	0.000	1	119.8983	12.438	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	2:3:3:	4:3:1:1:	S-4:C-4:C-3:	O-2:C-3:N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(CCO)	C(OC[6a])(CCC)(NCS)	S(CH3)(NCC)(O)2	N(SCOO)(CH3)(CCO)	C(OC[6a])(CCC)(NCS)	S(CH3)(NCC)(O)2	117.8855	0.753	2	117.8855	0.567	2	117.8855	0.567	2	119.8983	12.438	3	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:1:	3:3:1:1:	C-4:S-4:C-3:	N-3:O-2:O-1:	C[5a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[5a]OO)(COO)	C(NCS)(OC)(O)	S(C[5a]N[5a]S[5a])(NCC)(O)2	N(CC[6a]HH)(SC[5a]OO)(COO)	C(NCS)(OC)(O)	S(C[5a]N[5a]S[5a])(NCC)(O)2	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	120.5066	6.311	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:1:	3:3:1:1:	C-4:S-4:C-3:	N-3:O-2:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]HH)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[5a]HH)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	S(C[6a]C[6a]2)(NCC)(O)2	122.7000	0.000	1	122.7000	0.000	1	122.2445	0.415	2	120.5066	6.311	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:1:	3:3:1:1:	C-4:S-4:C-3:	N-3:O-2:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]2H)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]2H)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	S(C[6a]C[6a]2)(NCC)(O)2	121.7890	0.000	1	121.7890	0.000	1	122.2445	0.415	2	120.5066	6.311	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:1:	3:3:1:1:	C-4:S-4:C-3:	N-3:O-2:O-1:	N-3:N-3:O-1:O-1:	N(CCHH)(SNOO)(COO)	C(NCS)(OC)(O)	S(NCC)2(O)2	N(CCHH)(SNOO)(COO)	C(NCS)(OC)(O)	S(NCC)2(O)2	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	120.5066	6.311	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:1:	3:3:1:1:	S-4:C-4:C-3:	N-3:N-2:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CNO)	C(NCS)(NS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CNO)	C(NCS)(NS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	120.5066	6.311	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:1:	4:3:1:1:	C-4:S-4:C-3:	N-3:O-2:O-1:	C-4:N-3:O-1:O-1:	N(CC[5,6]HH)(SCOO)(COO)	C(NCS)(OC)(O)	S(CH3)(NCC)(O)2	N(CC[5,6]HH)(SCOO)(COO)	C(NCS)(OC)(O)	S(CH3)(NCC)(O)2	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:2:2:	3:3:1:1:	C-4:S-4:C-3:	N-3:C-2:O-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(NCS)(CC)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(NCS)(CC)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	117.0500	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:Cl-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CClH)(NCS)(Cl)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CClH)(NCS)(Cl)	S(C[6a]C[6a]2)(NCC)(O)2	117.0610	0.000	1	117.0610	0.000	1	117.0610	0.000	1	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:F-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]H)(NCS)(F)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]H)(NCS)(F)	S(C[6a]C[6a]2)(NCC)(O)2	117.9020	0.000	1	117.9020	0.000	1	118.4420	0.583	2	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:F-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]I)(NCS)(F)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]I)(NCS)(F)	S(C[6a]C[6a]2)(NCC)(O)2	118.9820	0.000	1	118.9820	0.000	1	118.4420	0.583	2	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	121.5830	0.000	1	121.5830	0.000	1	116.7938	20.608	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[5a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[5a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	119.7440	0.000	1	119.7440	0.000	1	116.7938	20.608	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	112.9240	0.484	2	112.9240	0.234	2	116.7938	20.608	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CBrC)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CBrC)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.7320	0.000	1	117.7320	0.000	1	117.9808	0.702	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCI)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCI)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	119.2250	0.000	1	119.2250	0.000	1	117.9808	0.702	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCS)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCS)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.4960	0.000	1	117.4960	0.000	1	117.9808	0.702	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CClC)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CClC)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.4700	0.000	1	117.4700	0.000	1	117.9808	0.702	4	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C[4]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	119.2580	0.000	1	119.2580	0.000	1	118.1063	1.000	3	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C[4]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4,6]C[4])(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4,6]C[4])(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	117.6020	0.000	1	117.6020	0.000	1	118.1063	1.000	3	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C[4]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	117.4590	0.000	1	117.4590	0.000	1	118.1063	1.000	3	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C[5]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[5]H)	C(C[5]C[5]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[5]H)	C(C[5]C[5]2)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C[6]-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C(CC[6a]C)(NC[6]S)(H)	S(C[6a]C[6a]2)(NC[6]C)(O)2	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C(CC[6a]C)(NC[6]S)(H)	S(C[6a]C[6a]2)(NC[6]C)(O)2	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C[6]-4:S-4:C-3:	N-3:C-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C(NC[6]S)(COO)(O)	S(C[6a]C[6a]2)(NC[6]C)(O)2	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C(NC[6]S)(COO)(O)	S(C[6a]C[6a]2)(NC[6]C)(O)2	121.5990	0.000	1	121.5990	0.000	1	121.5990	0.000	1	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:Br-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CBrC)	C(CC[6a]Br)(NCS)(Br)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CBrC)	C(CC[6a]Br)(NCS)(Br)	S(C[6a]C[6a]2)(NCC)(O)2	119.8260	0.000	1	119.8260	0.000	1	119.8260	0.000	1	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CC[3]H)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[3]H)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	115.8820	0.000	1	115.8820	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	119.1610	0.000	1	119.1610	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	115.7890	0.000	1	115.7890	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	116.2720	0.000	1	116.2720	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]O)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]O)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	116.5190	1.442	2	116.5190	2.081	2	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	118.5690	0.000	1	118.5690	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	119.4640	0.000	1	119.4640	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	120.3760	0.000	1	120.3760	0.000	1	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CHHO)(CCH)	C(CC[6a]O)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CHHO)(CCH)	C(CC[6a]O)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	117.8260	0.003	2	117.8260	0.000	2	117.6548	2.704	11	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCO)	C(CCH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCO)	C(CCH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	121.3080	0.000	1	121.3080	0.000	1	122.8993	2.039	3	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCO)	C(CC[5]C)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCO)	C(CC[5]C)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	123.3210	0.000	1	123.3210	0.000	1	122.8993	2.039	3	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[3]HH)(CCO)	C(CC[6a]O)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[3]HH)(CCO)	C(CC[6a]O)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	124.0690	0.000	1	124.0690	0.000	1	122.8993	2.039	3	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CCH)	C(CC[6a]H)(NSS)(H)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CCH)	C(CC[6a]H)(NSS)(H)	S(C[6a]C[6a]2)(NCS)(O)2	118.3935	4.289	2	118.3935	18.392	2	118.3935	18.392	2	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:S-4:C-3:	C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CC[6]H)	C(C[6]C[6,6a]O[6])(NSS)(H)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CC[6]H)	C(C[6]C[6,6a]O[6])(NSS)(H)	S(C[6a]C[6a]2)(NCS)(O)2	119.3400	1.532	2	119.3400	2.346	2	119.3400	2.346	2	118.2537	6.770	36	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:4:1:1:	C[5]-4:S-4:C-3:	N-3:C-3:H-1:	N-3:C-4:O-1:O-1:	N(C[5]C[5]2H)(SCOO)(CCH)	C(NC[5]S)(CCH)(H)	S(NC[5]C)(CC3)(O)2	N(C[5]C[5]2H)(SCOO)(CCH)	C(NC[5]S)(CCH)(H)	S(NC[5]C)(CC3)(O)2	119.0200	0.000	1	119.0200	0.000	1	119.0200	0.000	1	119.0200	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	4:3:1:1:	C-4:S-4:C-3:	C-3:N-3:H-1:	C-4:N-3:O-1:O-1:	N(CCHH)(SCOO)(CCH)	C(CN[5]O)(NCS)(H)	S(CC[6a]HH)(NCC)(O)2	N(CCHH)(SCOO)(CCH)	C(CN[5]O)(NCS)(H)	S(CC[6a]HH)(NCC)(O)2	117.5845	4.188	2	117.5845	17.541	2	117.5845	17.541	2	118.1120	6.719	4	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:1:	4:3:1:1:	S-4:S-4:C-3:	C-3:N-3:O-1:	C-4:N-3:O-1:O-1:	N(SCOO)2(CCO)	C(CClO)(NSS)(O)	S(CH3)(NCS)(O)2	N(SCOO)2(CCO)	C(CClO)(NSS)(O)	S(CH3)(NCS)(O)2	118.6395	1.225	2	118.6395	1.502	2	118.6395	1.502	2	118.1120	6.719	4	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[3]H)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[3]H)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	117.8150	0.000	1	117.8150	0.000	1	116.6130	2.890	2	118.2612	3.273	9	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[5a]H)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[5a]H)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	115.4110	0.000	1	115.4110	0.000	1	116.6130	2.890	2	118.2612	3.273	9	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:O-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]H)(NCS)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]H)(NCS)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	118.2612	3.273	9	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	115.3170	0.000	1	115.3170	0.000	1	115.3170	0.000	1	118.2612	3.273	9	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:O-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCO)	C(CC[6a]H)(NCS)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCO)	C(CC[6a]H)(NCS)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	118.2612	3.273	9	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	S-4:S-4:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(NSS)(CC)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(NSS)(CC)	S(C[6a]C[6a]2)(NCS)(O)2	118.9822	0.557	4	118.9822	0.310	4	118.9822	0.310	4	118.2612	3.273	9	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	114.2860	0.000	1	114.2860	0.000	1	118.5407	14.365	3	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCH)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCH)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	119.7800	0.000	1	119.7800	0.000	1	118.5407	14.365	3	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCN)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCN)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	121.5560	0.000	1	121.5560	0.000	1	118.5407	14.365	3	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]H)(NCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]H)(NCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C[4]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[4]C[4]2)(CC[6a]H)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[4]C[4]2)(CC[6a]H)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C[5]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[5]C[5]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[5]C[5]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	121.6220	0.000	1	121.6220	0.000	1	121.6220	0.000	1	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	S-4:C-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCC)	C(CCH)(CCO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCC)	C(CCH)(CCO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	122.2730	0.000	1	122.2730	0.000	1	121.0785	1.007	4	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	S-4:C-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]Br)(CC[6a]O)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]Br)(CC[6a]O)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	119.8170	0.000	1	119.8170	0.000	1	121.0785	1.007	4	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	S-4:C-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]C)(CCC)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]C)(CCC)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	121.1120	0.010	2	121.1120	0.000	2	121.0785	1.007	4	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	S-4:S-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CCC)	C(CC[6a]C)(CHO)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CCC)	C(CC[6a]C)(CHO)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	118.2890	2.312	2	118.2890	5.346	2	118.2890	5.346	2	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	S-4:S-4:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	118.3350	2.499	2	118.3350	6.245	2	118.8847	3.049	4	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	S-4:S-4:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CSe2)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CSe2)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	119.4345	1.302	2	119.4345	1.695	2	118.8847	3.049	4	119.4087	4.680	16	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:3:3:	4:3:1:1:	S-4:C-4:C-3:	C-3:N-3:N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	S(CH3)(NCC)(O)2	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	S(CH3)(NCC)(O)2	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	3:4:2:	3:3:1:1:	C[6]-4:S-4:C-3:	N-3:C-4:N-2:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C(NC[6]S)(CH3)(NC)	S(C[6a]C[6a]2)(NC[6]C)(O)2	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C(NC[6]S)(CH3)(NC)	S(C[6a]C[6a]2)(NC[6]C)(O)2	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:2:3:	3:3:1:1:	C-4:S-4:C-3:	C-4:N-2:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]HH)(NC[6a])(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]HH)(NC[6a])(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	129.7780	0.000	1	129.7780	0.000	1	129.7780	0.000	1	119.0720	19.188	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	3:3:1:1:	C-4:S-4:C-3:	C[4]-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[4]O)	C(C[4]C[6a]C[4]2)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[4]O)	C(C[4]C[6a]C[4]2)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	119.0720	19.188	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	3:3:1:1:	C[6]-4:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C(CC[6a]C[6]H)(NC[6]S)(O)	S(C[6a]C[6a]2)(NC[6]C)(O)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C(CC[6a]C[6]H)(NC[6]S)(O)	S(C[6a]C[6a]2)(NC[6]C)(O)2	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	119.0720	19.188	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCO)	C(CC[6a]HH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCO)	C(CC[6a]HH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	116.8457	0.255	3	116.8457	0.065	3	117.2494	0.406	5	119.0720	19.188	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]HH)(CCO)	C(CC[6a]HH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6]HH)(CCO)	C(CC[6a]HH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	118.2240	0.000	1	118.2240	0.000	1	117.2494	0.406	5	119.0720	19.188	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCO)	C(CCHH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCO)	C(CCHH)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.4860	0.000	1	117.4860	0.000	1	117.2494	0.406	5	119.0720	19.188	8	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:1:	4:3:1:1:	S-4:C-4:C-3:	C-4:N-3:O-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(CCO)	C(CC[6a]N[5a]H)(NCS)(O)	S(CH3)(NCC)(O)2	N(SCOO)(CH3)(CCO)	C(CC[6a]N[5a]H)(NCS)(O)	S(CH3)(NCC)(O)2	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:2:	3:3:1:1:	S-4:C-4:C-3:	C-4:N-3:N-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[4]HH)(CCN)	C(CCCH)(NCS)(NS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[4]HH)(CCN)	C(CCCH)(NCS)(NS)	S(C[6a]C[6a]2)(NCC)(O)2	119.6700	0.000	1	119.6700	0.000	1	119.6700	0.000	1	119.6700	0.000	1	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-4:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CF3)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CF3)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	118.1267	1.301	3	118.1267	1.693	3	118.1267	1.693	3	118.2900	0.897	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP2_SP2_SP3	N	C	S	4:4:3:	4:3:3:	3:3:1:1:	S-4:S-4:C-3:	C[5]-4:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(CC[5]C)	C(C[5]C[5]2Fe)(CHH)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[6a]OO)2(CC[5]C)	C(C[5]C[5]2Fe)(CHH)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	118.5350	0.042	2	118.5350	0.002	2	118.5350	0.002	2	118.2900	0.897	5	121.6934	10.765	399	121.6934	10.765	399
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:1:	3:3:3:	3:3:1:1:	C-3:S-4:H-1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[5])(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[5])(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	127.4980	0.000	1	127.4980	0.000	1	127.4980	0.000	1	127.4980	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:1:	3:3:3:	4:3:1:1:	C-3:S-4:H-1:	C[5]-3:C[6a]-3:N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]C[5])(SCOO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	S(CH3)(NCH)(O)2	N(CC[6a]C[5])(SCOO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	S(CH3)(NCH)(O)2	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	115.7570	0.000	1	115.7570	0.000	1	115.7570	0.000	1	114.9080	1.352	3	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NC[6a]S)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	114.9080	1.352	3	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCI)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCI)(H)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	114.9080	1.352	3	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	3:3:3:	3:3:1:1:	S-3:S-4:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCoC)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	N(SC[5x3,5x5,20x6]Co)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCoC)(NSS)	S(C[6a]C[6a]2)(NCS)(O)2	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	3:4:1:	3:3:1:1:	C[5a]-3:S-4:C-3:	N-3:C-4:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	3:4:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	N-3:C-4:C-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CHHN)(CHH)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CHHN)(CHH)	S(C[6a]C[6a]2)(NC[6a]C)(O)2	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:3:	4:3:1:	3:3:1:1:	C[5a]-3:S-4:C-3:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(CC[6a]HH)(NC[5a]S)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(CC[6a]HH)(NC[5a]S)(O)	S(C[6a]C[6a]2)(NC[5a]C)(O)2	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	3:4:4:	3:3:3:	3:3:1:1:	C-3:S-4:C-4:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[6])(SC[6a]OO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]C[6])(SC[6a]OO)(CH3)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	120.4865	2.647	2	120.4865	7.005	2	120.4865	7.005	2	120.4865	7.005	2	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	C(CC[6]S)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	C(CC[6]S)(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	120.5960	0.000	1	120.5960	0.000	1	121.2050	0.742	2	122.4875	6.784	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	S(C[6a]C[6a]2)(NCH)(O)2	121.8140	0.000	1	121.8140	0.000	1	121.2050	0.742	2	122.4875	6.784	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	122.8983	2.420	4	122.8983	5.857	4	122.8983	5.857	4	122.4875	6.784	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	119.8105	0.404	2	119.8105	0.163	2	121.2437	6.243	3	122.4875	6.784	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	S(C[6a]C[6a]N[6a])(NCH)(O)2	124.1100	0.000	1	124.1100	0.000	1	121.2437	6.243	3	122.4875	6.784	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	N-3:N-3:S-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNS)(H)	C(NC[6a]H)(NHS)(S)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNS)(H)	C(NC[6a]H)(NHS)(S)	S(C[6a]C[6a]2)(NCH)(O)2	127.1410	0.000	1	127.1410	0.000	1	127.1410	0.000	1	122.4875	6.784	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	4:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	S(CH3)(NCH)(O)2	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	S(CH3)(NCH)(O)2	119.9380	0.000	1	119.9380	0.000	1	121.0987	1.540	3	121.0987	1.540	3	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:1:	4:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	S(CH3)(NCH)(O)2	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	S(CH3)(NCH)(O)2	121.6790	1.030	2	121.6790	1.060	2	121.0987	1.540	3	121.0987	1.540	3	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	123.5350	0.000	1	123.5350	0.000	1	119.7965	12.046	4	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CCH)2(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CCH)2(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	121.9650	0.000	1	121.9650	0.000	1	119.7965	12.046	4	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]O)(CHN)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CC[6a]O)(CHN)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	116.8430	0.110	2	116.8430	0.012	2	119.7965	12.046	4	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[5]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]2)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]2)(COO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	119.6900	0.000	2	119.6900	0.000	2	118.9353	1.709	3	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[5]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	117.4260	0.000	1	117.4260	0.000	1	118.9353	1.709	3	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[5a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CCO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CCO)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	122.5885	1.329	2	122.5885	1.765	2	122.5885	1.765	2	119.5601	9.706	10	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	3:4:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]Cl)(CClHH)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	C(CC[6a]Cl)(CClHH)(NHS)	S(C[6a]C[6a]2)(NCH)(O)2	125.6960	0.000	1	125.6960	0.000	1	125.6960	0.000	1	125.6960	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	S(C[6a]C[6a]2)(NCH)(O)2	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:3:4:	3:3:3:	3:3:1:1:	S-4:C-3:C-4:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:2:2:	3:3:1:1:	C-4:S-4:C-3:	N-3:C-2:O-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(NCS)(CC)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(NCS)(CC)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:Cl-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CCH)(NCS)(Cl)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CCH)(NCS)(Cl)	S(C[6a]C[6a]2)(NCC)(O)2	118.4047	0.509	3	118.4047	0.259	3	118.6120	0.345	4	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:Cl-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CC[6a]H)(NCS)(Cl)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CC[6a]H)(NCS)(Cl)	S(C[6a]C[6a]2)(NCC)(O)2	119.2340	0.000	1	119.2340	0.000	1	118.6120	0.345	4	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:F-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]H)(NCS)(F)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]H)(NCS)(F)	S(C[6a]C[6a]2)(NCC)(O)2	117.1660	0.000	1	117.1660	0.000	1	117.1660	0.000	1	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	111.5870	0.208	2	111.5870	0.043	2	111.5870	0.043	2	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C[6]-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C(CC[6a]Si)(NC[6]S)(H)	S(C[6a]C[6a]2)(NC[6]C)(O)2	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C(CC[6a]Si)(NC[6]S)(H)	S(C[6a]C[6a]2)(NC[6]C)(O)2	116.1660	0.000	1	116.1660	0.000	1	116.1660	0.000	1	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	C[6]-4:S-4:C-3:	C[4]-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NC[6]S)(H)	S(C[6a]C[6a]2)(NC[6]C)(O)2	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NC[6]S)(H)	S(C[6a]C[6a]2)(NC[6]C)(O)2	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	115.1600	0.000	1	115.1600	0.000	1	116.8588	2.039	4	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CHH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CHH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	116.2230	0.000	1	116.2230	0.000	1	116.8588	2.039	4	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	118.2510	0.000	1	118.2510	0.000	1	116.8588	2.039	4	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	S(C[6a]C[6a]2)(NCC)(O)2	117.8010	0.000	1	117.8010	0.000	1	116.8588	2.039	4	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	N-3:N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(CNO)	C(NCC)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CCHH)(CNO)	C(NCC)(NCS)(O)	S(C[6a]C[6a]2)(NCC)(O)2	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	116.4582	6.256	14	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:1:	4:3:1:1:	S-4:C-4:C-3:	C-3:N-3:H-1:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(CCH)	C(CC[6a]H)(NCS)(H)	S(CH3)(NCC)(O)2	N(SCOO)(CH3)(CCH)	C(CC[6a]H)(NCS)(H)	S(CH3)(NCC)(O)2	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[5a]H)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[5a]H)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	117.6932	6.489	12	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:O-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCH)(NCS)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCH)(NCS)(OC)	S(C[6a]C[6a]2)(NCC)(O)2	117.3187	1.212	4	117.3187	1.469	4	117.3187	1.469	4	117.6932	6.489	12	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	C-4:S-4:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(NCS)(CC)	S(C[6a]C[6a]2)(NCC)(O)2	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	117.6932	6.489	12	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCN)	C(CCH)(NCS)(NC)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCN)	C(CCH)(NCS)(NC)	S(C[6a]C[6a]2)(NCC)(O)2	120.7093	2.908	3	120.7093	8.454	3	118.9185	7.324	6	117.6932	6.489	12	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]H)(NCS)(NS)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]H)(NCS)(NS)	S(C[6a]C[6a]2)(NCC)(O)2	116.7070	0.000	1	116.7070	0.000	1	118.9185	7.324	6	117.6932	6.489	12	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:2:	3:3:1:1:	S-4:C-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]O)(NCS)(NC)	S(C[6a]C[6a]2)(NCC)(O)2	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]O)(NCS)(NC)	S(C[6a]C[6a]2)(NCC)(O)2	117.3380	0.451	2	117.3380	0.204	2	118.9185	7.324	6	117.6932	6.489	12	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	116.6534	3.542	5	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]H)(NCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]H)(NCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	119.1900	0.000	1	119.1900	0.000	1	119.1900	0.000	1	116.6534	3.542	5	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C[4]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[4]C[4]2)(CC[6a]H)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[4]C[4]2)(CC[6a]H)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	117.9710	0.000	1	117.9710	0.000	1	117.9710	0.000	1	116.6534	3.542	5	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C[5]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[5]C[5]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[5]C[5]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	114.7510	0.000	1	114.7510	0.000	1	114.7510	0.000	1	116.6534	3.542	5	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:3:	3:3:1:1:	C-4:S-4:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NCS)	S(C[6a]C[6a]2)(NCC)(O)2	115.1910	0.000	1	115.1910	0.000	1	115.1910	0.000	1	116.6534	3.542	5	118.8960	12.102	71	118.8960	12.102	71
956	930	952	0:SP3_SP2_SP3	N	C	S	4:4:3:	3:3:3:	4:3:1:1:	S-4:C-4:C-3:	C-3:N-3:N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	S(CH3)(NCC)(O)2	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	S(CH3)(NCC)(O)2	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	118.8960	12.102	71	118.8960	12.102	71
956	930	955	0:SP2_SP2_SP3	N	C	P[5]	4:4:3:	3:1:1:	3:3:2:3:	P[5]-4:C-4:C-3:	N-3:H-1:H-1:	N[5,5]-3:N[5]-3:N-2:N-3:	N(P[5]N[5,5]N[5]N)(CH3)(CHH)	C(NP[5]C)(H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(NC[6])(NCC)	N(P[5]N[5,5]N[5]N)(CH3)(CHH)	C(NP[5]C)(H)2	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(NC[6])(NCC){2|C<3>,2|C<4>,5|H<1>}	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1
956	930	956	0:SP2_SP2_SP2	N	C	N	2:3:3:	3:2:1:	3:3:1:	S-2:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(SC[5])(COO)(NCH)	C(NNS)(OC)(O)	N(COO)(NCS)(H)	N(SC[5])(COO)(NCH)	C(NNS)(OC)(O)	N(COO)(NCS)(H)	115.8690	0.000	1	115.8690	0.000	1	115.8690	0.000	1	115.8690	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:2:3:	3:3:1:	3:4:3:	C-3:S-2:N-3:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(SN[5])(NCC)	C(C[6a]C[6a]2)(NNS)(O)	N(CC[6a]O)(CC3)(NCS)	N(CC[6a]O)(SN[5])(NCC)	C(C[6a]C[6a]2)(NNS)(O)	N(CC[6a]O)(CC3)(NCS)	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	2:3:1:	4:3:3:	N-3:C-3:H-1:	O-2:N-3:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(OC[3x6])(NHN)(O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	N(NC[5]C)(COO)(H)	C(OC[3x6])(NHN)(O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:1:1:	3:3:1:	C-3:N-3:H-1:	N-3:H-1:O-1:	C-3:N-3:H-1:	N(CHO)(NCH)(H)	C(NHN)(H)(O)	N(CHO)(NCH)(H)	N(CHO)(NCH)(H)	C(NHN)(H)(O)	N(CHO)(NCH)(H)	119.4120	0.000	1	119.4120	0.000	1	119.8900	0.148	4	120.1950	0.576	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:1:1:	3:3:1:	C-3:N-3:H-1:	N-3:H-1:O-1:	C-3:N-3:H-1:	N(CHO)(NCH)(H)	C(NHN)(H)(O)	N(CNS)(NCH)(H)	N(CHO)(NCH)(H)	C(NHN)(H)(O)	N(CNS)(NCH)(H)	120.0493	0.264	3	120.0493	0.070	3	119.8900	0.148	4	120.1950	0.576	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:1:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-1:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(O)2	N(CNN)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(O)2	N(CNN)(NCH)(H)	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	120.1950	0.576	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	2:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	S-2:C-3:N-3:	N(COO)(NCS)(H)	C(NHN)(OC)(O)	N(SC[5])(COO)(NCH)	N(COO)(NCS)(H)	C(NHN)(OC)(O)	N(SC[5])(COO)(NCH)	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-2:O-1:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	N(NCH)(O)2	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	N(NCH)(O)2	125.1550	1.601	2	125.1550	2.563	2	125.1550	2.563	2	124.3072	1.576	16	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:1:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:O-1:O-1:	N(COO)(NOO)(H)	C(NHN)(OC)(O)	N(NCH)(O)2	N(COO)(NOO)(H)	C(NHN)(OC)(O)	N(NCH)(O)2	124.1861	1.223	14	124.1861	1.495	14	124.1861	1.495	14	124.3072	1.576	16	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[5a]C)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[5a]C)(NCH)(H)	119.5050	0.000	1	119.5050	0.000	1	119.5477	0.078	6	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[5a]O)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[5a]O)(NCH)(H)	119.9260	0.000	1	119.9260	0.000	1	119.5477	0.078	6	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CNO)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CNO)(NCH)(H)	119.3750	0.000	1	119.3750	0.000	1	119.5477	0.078	6	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(COO)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(COO)(NCH)(H)	119.4933	0.322	3	119.4933	0.104	3	119.5477	0.078	6	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:S-2:S-1:	C-3:N-3:H-1:	N(CSS)(NCH)(H)	C(NHN)(SC)(S)	N(CC[6a]O)(NCH)(H)	N(CSS)(NCH)(H)	C(NHN)(SC)(S)	N(CC[6a]O)(NCH)(H)	119.5373	0.200	4	119.5373	0.040	4	119.5373	0.040	4	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(NCH)(H)	120.3520	0.000	1	120.3520	0.000	1	120.2090	0.041	2	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]N[6a])(NCH)(H)	120.0660	0.000	1	120.0660	0.000	1	120.2090	0.041	2	119.6544	0.117	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCN)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCN)(COO)(NCH)	117.4290	0.000	1	117.4290	0.000	1	119.9410	7.565	3	118.6456	4.615	8	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]C[5])(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]C[5])(COO)(NCH)	121.1970	2.380	2	121.1970	5.665	2	119.9410	7.565	3	118.6456	4.615	8	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5a]-3:C-3:N-3:	N(NC[5a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5a]C[5a]S[5a])(COO)(NCH)	N(NC[5a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5a]C[5a]S[5a])(COO)(NCH)	117.3060	0.000	1	117.3060	0.000	1	117.3060	0.000	1	118.6456	4.615	8	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	119.4860	0.000	2	119.4860	0.000	2	118.0090	2.909	4	118.6456	4.615	8	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	116.5230	0.000	1	116.5230	0.000	1	118.0090	2.909	4	118.6456	4.615	8	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	116.5410	0.000	1	116.5410	0.000	1	118.0090	2.909	4	118.6456	4.615	8	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:4:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:P-4:N-3:	N(NC[6a]P)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(PO3)(NCH)	N(NC[6a]P)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(PO3)(NCH)	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	P-4:N-3:H-1:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PC[6a]NO)(NCH)(H)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PC[6a]NO)(NCH)(H)	120.8110	0.000	1	120.8110	0.000	1	120.8110	0.000	1	120.8110	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC3)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC3)(COO)(NCH)	116.0960	0.000	1	116.0960	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(CNO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(CNO)(NCH)	120.5435	0.500	2	120.5435	0.250	2	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(COO)(NCH)	115.3380	0.000	1	115.3380	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCFF)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCFF)(COO)(NCH)	117.1610	0.000	1	117.1610	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCHH)(CCC)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCHH)(CCC)(NCH)	119.6730	0.000	1	119.6730	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[5a]C[5]H)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[5a]C[5]H)(COO)(NCH)	122.8370	0.000	1	122.8370	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CC)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CC)(COO)(NCH)	119.9060	0.000	1	119.9060	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(CCH)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(CCH)(NCH)	117.2300	0.000	1	117.2300	0.000	1	118.8142	6.132	9	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	S-4:C-3:N-3:	N(COO)(NCS)(H)	C(NHN)(OC)(O)	N(SCOO)(COO)(NCH)	N(COO)(NCS)(H)	C(NHN)(OC)(O)	N(SCOO)(COO)(NCH)	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	119.0610	0.000	1	119.0610	0.000	1	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	116.8180	0.181	2	116.8180	0.033	2	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	117.6980	0.000	2	117.6980	0.000	2	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]2H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]2H)(COO)(NCH)	117.5713	1.461	4	117.5713	2.135	4	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]O[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]O[5]H)(COO)(NCH)	119.1490	0.000	1	119.1490	0.000	1	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]S[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]S[5]H)(COO)(NCH)	119.9020	0.000	1	119.9020	0.000	1	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	120.6170	0.000	1	120.6170	0.000	1	118.1705	2.065	12	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6]-4:C-3:N-3:	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	117.1735	0.947	2	117.1735	0.896	2	117.3810	0.577	3	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6]-4:C-3:N-3:	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[6]2C)(COO)(NCH)	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[6]2C)(COO)(NCH)	117.7960	0.000	1	117.7960	0.000	1	117.3810	0.577	3	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	P[4]-4:C-3:N-3:	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	N(P[4]N[4]2N)(COO)(NCH)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	N(P[4]N[4]2N)(COO)(NCH)	115.6410	0.000	1	115.6410	0.000	1	115.6410	0.000	1	118.2207	3.401	26	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:2:2:	3:3:1:	C-3:N-3:H-1:	N-3:S-2:N-2:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHN)(SAg)(NP)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	C(NHN)(SAg)(NP)	N(CNS)(NCH)(H)	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:O-1:O-1:	N(CC[5a]O)(NOO)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(NCH)(O)2	N(CC[5a]O)(NOO)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(NCH)(O)2	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	126.0554	10.913	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	N(NCH)(O)2	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	N(NCH)(O)2	128.7100	0.669	2	128.7100	0.447	2	126.7960	10.894	4	126.0554	10.913	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	C(NHH)(NHN)(O)	N(NCH)(O)2	N(CNO)(NOO)(H)	C(NHH)(NHN)(O)	N(NCH)(O)2	127.8470	0.000	1	127.8470	0.000	1	126.7960	10.894	4	126.0554	10.913	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	C(NHN)2(O)	N(NCH)(O)2	N(CNO)(NOO)(H)	C(NHN)2(O)	N(NCH)(O)2	121.9170	0.000	1	121.9170	0.000	1	126.7960	10.894	4	126.0554	10.913	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	N(CCO)(NCH)(H)	119.3404	0.724	5	119.3404	0.523	5	119.1259	0.559	9	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	N(CC[4]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	N(CC[4]O)(NCH)(H)	118.3060	0.000	1	118.3060	0.000	1	119.1259	0.559	9	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.2395	1.104	2	119.2395	1.218	2	119.1259	0.559	9	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CNO)(NHN)(O)	N(CC[6a]N)(NCH)(H)	N(CCO)(NCH)(H)	C(CNO)(NHN)(O)	N(CC[6a]N)(NCH)(H)	118.6460	0.000	1	118.6460	0.000	1	119.1259	0.559	9	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5])(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5])(NHN)(O)	N(CC[6a]O)(NCH)(H)	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[5a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[5a]O)(NCH)(H)	119.4550	0.538	3	119.4550	0.289	3	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CNO)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CNO)(NCH)(H)	118.9853	2.826	3	118.9853	7.984	3	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CNS)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CNS)(NCH)(H)	118.4580	0.000	1	118.4580	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(COO)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(COO)(NCH)(H)	120.4850	0.000	1	120.4850	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CNS)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CNS)(NCH)(H)	120.2615	0.040	2	120.2615	0.002	2	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CCO)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CCO)(NCH)(H)	120.0800	0.000	1	120.0800	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6]C)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6]C)(NCH)(H)	115.1660	0.000	1	115.1660	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]C[5])(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]C[5])(NCH)(H)	119.0680	0.000	1	119.0680	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.0040	0.000	1	119.0040	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	118.8050	0.000	1	118.8050	0.000	1	119.1273	2.751	15	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(CC[5a]O)(NC[6a]H)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[5a]O)(NC[6a]H)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	N(CCO)(NCH)(H)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	N(CCO)(NCH)(H)	116.7130	0.000	1	116.7130	0.000	1	118.5820	1.451	6	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6]O)(NCH)(H)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6]O)(NCH)(H)	118.5900	0.738	2	118.5900	0.545	2	118.5820	1.451	6	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.1997	1.018	3	119.1997	1.037	3	118.5820	1.451	6	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:N-1:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(N)	N(CC[6a]N)(NCH)(H)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(N)	N(CC[6a]N)(NCH)(H)	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	N(CC[6a]C[5])(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	N(CC[6a]C[5])(NCH)(H)	120.3880	0.000	1	120.3880	0.000	1	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)(H)	119.7780	0.000	1	119.7780	0.000	1	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCO)(NCH)(H)	120.0017	1.171	13	120.0017	1.372	13	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5]O)(NCH)(H)	120.4950	0.000	1	120.4950	0.000	1	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]O)(NCH)(H)	119.9865	0.016	2	119.9865	0.000	2	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]O)(NCH)(H)	119.1630	0.667	3	119.1630	0.445	3	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	118.9357	1.382	35	118.9357	1.909	35	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNO)(NCH)(H)	119.7644	0.508	11	119.7644	0.258	11	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNS)(NCH)(H)	118.8356	1.709	21	118.8356	2.922	21	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CN[6]S)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CN[6]S)(NCH)(H)	120.3800	0.000	1	120.3800	0.000	1	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CSS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CSS)(NCH)(H)	120.4290	0.000	1	120.4290	0.000	1	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CCO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CCO)(NCH)(H)	120.7170	0.989	2	120.7170	0.977	2	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[5]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[5]O)(NCH)(H)	119.4000	0.000	1	119.4000	0.000	1	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]O)(NCH)(H)	120.6025	1.763	4	120.6025	3.107	4	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CSS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CSS)(NCH)(H)	121.3323	0.317	3	121.3323	0.100	3	119.4190	2.018	100	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[5a]-3:N-3:H-1:	N(CC[6a]O)(NC[5a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5a]N[5a]S[5a])(NCH)(H)	N(CC[6a]O)(NC[5a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5a]N[5a]S[5a])(NCH)(H)	120.8290	0.000	1	120.8290	0.000	1	120.8290	0.000	1	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:H-1:	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6]2)(NCH)(H)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6]2)(NCH)(H)	119.1330	0.000	1	119.1330	0.000	1	119.4310	0.178	2	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:H-1:	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6]N[6])(NCH)(H)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6]N[6])(NCH)(H)	119.7290	0.000	1	119.7290	0.000	1	119.4310	0.178	2	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	119.9601	1.132	7	119.9601	1.282	7	119.9601	1.282	7	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	116.9357	1.837	4	116.9357	3.374	4	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CNO)(NCH)(H)	118.9680	0.000	1	118.9680	0.000	1	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(COO)(NCH)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(COO)(NCH)(H)	120.3500	0.000	1	120.3500	0.000	1	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(CCO)(NCH)(H)	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(CCO)(NCH)(H)	118.9405	1.624	2	118.9405	2.638	2	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]O)(NCH)(H)	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]O)(NCH)(H)	118.1140	1.999	3	118.1140	3.995	3	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]O)(NCH)(H)	116.7805	1.129	2	116.7805	1.275	2	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CC[6]C)(NCH)(H)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CC[6]C)(NCH)(H)	115.9310	0.000	1	115.9310	0.000	1	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.0346	0.502	5	119.0346	0.252	5	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	120.7300	0.074	2	120.7300	0.005	2	118.3528	3.037	21	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CCO)(NCH)(H)	119.1930	1.145	7	119.1930	1.311	7	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC[5a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC[5a]O)(NCH)(H)	119.5320	0.344	2	119.5320	0.118	2	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC[6a]O)(NCH)(H)	121.0261	1.509	7	121.0261	2.277	7	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(CCO)(NCH)(H)	124.0720	0.000	1	124.0720	0.000	1	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]O)(NCH)(H)	118.3640	0.000	1	118.3640	0.000	1	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(CNS)(NCH)(H)	123.1780	0.000	1	123.1780	0.000	1	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CCO)(NCH)(H)	120.7132	1.370	5	120.7132	1.876	5	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]O)(NCH)(H)	121.9665	1.243	8	121.9665	1.545	8	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[5]C)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[5]C)(NCH)(H)	122.4710	0.000	1	122.4710	0.000	1	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[5a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[5a]O)(NCH)(H)	121.1700	0.000	1	121.1700	0.000	1	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[6a]O)(NCH)(H)	121.6598	0.555	5	121.6598	0.308	5	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CHO)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CHO)(NCH)(H)	121.3933	0.327	3	121.3933	0.107	3	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	122.0954	0.374	5	122.0954	0.140	5	121.1087	2.357	47	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CN[5a]O)(NCH)(H)	C(N[5a]C[5a]N[5a])(NHN)(O)	N(CN[5a]O)(NCH)(H)	N(CN[5a]O)(NCH)(H)	C(N[5a]C[5a]N[5a])(NHN)(O)	N(CN[5a]O)(NCH)(H)	118.9695	0.583	6	118.9695	0.340	6	118.9695	0.340	6	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N[6]-3:N-3:S-1:	C-3:N-3:H-1:	N(CN[6]S)(NCH)(H)	C(N[6]C[6]2)(NHN)(S)	N(CC[6a]O)(NCH)(H)	N(CN[6]S)(NCH)(H)	C(N[6]C[6]2)(NHN)(S)	N(CC[6a]O)(NCH)(H)	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNO)(H)	C(NHH)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CNO)(H)	C(NHH)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	121.9210	0.341	2	121.9210	0.116	2	121.0590	1.372	11	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNO)(H)	C(NHN)2(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CNO)(H)	C(NHN)2(O)	N(C[6a]C[6a]2)(NCH)(H)	120.8674	1.214	9	120.8674	1.473	9	121.0590	1.372	11	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:N-3:S-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(NCH)(H)	121.1453	0.480	3	121.1453	0.230	3	121.1453	0.230	3	119.6922	2.969	232	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(COO)2(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(COO)2(NCH)	118.5710	0.000	1	118.5710	0.000	1	118.5710	0.000	1	118.9423	0.296	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:C-3:N-3:	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(CCO)(NCH)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(CCO)(NCH)	118.6510	0.000	1	118.6510	0.000	1	119.0660	0.352	3	118.9423	0.296	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:C-3:N-3:	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	118.8010	0.000	1	118.8010	0.000	1	119.0660	0.352	3	118.9423	0.296	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:C-3:N-3:	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	119.7460	0.000	1	119.7460	0.000	1	119.0660	0.352	3	118.9423	0.296	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]O)(CC3)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]O)(CC3)(NCH)	119.7180	0.000	1	119.7180	0.000	1	119.8917	0.219	3	119.8917	0.219	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(CC3)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(CC3)(NCH)	119.9785	0.627	2	119.9785	0.393	2	119.8917	0.219	3	119.8917	0.219	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCCH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCCH)(NCH)(H)	119.3855	0.346	2	119.3855	0.120	2	120.6322	2.114	4	120.5006	1.672	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]CH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]CH)(NCH)(H)	121.8790	0.069	2	121.8790	0.005	2	120.6322	2.114	4	120.5006	1.672	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	S-4:N-3:H-1:	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(SC[6a]OO)(NCH)(H)	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(SC[6a]OO)(NCH)(H)	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	120.5006	1.672	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]HO)(CCO)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]HO)(CCO)(NCH)	120.1080	0.000	1	120.1080	0.000	1	120.0785	0.174	4	119.7518	0.363	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CCO)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CCO)(NCH)	120.0400	0.000	1	120.0400	0.000	1	120.0785	0.174	4	119.7518	0.363	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CSS)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CSS)(NCH)	119.5740	0.000	1	119.5740	0.000	1	120.0785	0.174	4	119.7518	0.363	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CH3)(CSS)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CH3)(CSS)(NCH)	120.5920	0.000	1	120.5920	0.000	1	120.0785	0.174	4	119.7518	0.363	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-4:C-3:N-3:	N(CNO)(NCC)(H)	C(NCN)(NHN)(O)	N(CH3)(CNO)(NCH)	N(CNO)(NCC)(H)	C(NCN)(NHN)(O)	N(CH3)(CNO)(NCH)	119.0985	0.114	2	119.0985	0.013	2	119.0985	0.013	2	119.7518	0.363	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:O-1:O-1:	N(CNN)(NOO)(H)	C(NHH)(NHN)(NH)	N(NCH)(O)2	N(CNN)(NOO)(H)	C(NHH)(NHN)(NH)	N(NCH)(O)2	125.6960	0.000	1	125.6960	0.000	1	126.1210	0.361	2	123.4585	9.798	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:O-1:O-1:	N(CNN)(NOO)(H)	C(NHH)(NHN)(NN)	N(NCH)(O)2	N(CNN)(NOO)(H)	C(NHH)(NHN)(NN)	N(NCH)(O)2	126.5460	0.000	1	126.5460	0.000	1	126.1210	0.361	2	123.4585	9.798	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCd)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCd)	N(NCH)(H)2	120.2140	0.000	1	120.2140	0.000	1	120.7960	0.677	2	123.4585	9.798	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCu)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCu)	N(NCH)(H)2	121.3780	0.000	1	121.3780	0.000	1	120.7960	0.677	2	123.4585	9.798	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:N-2:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	N(CC[6a]N)(NCH)(H)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	N(CC[6a]N)(NCH)(H)	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(NCH)(H)2	118.9910	0.000	1	118.9910	0.000	1	122.6797	29.494	4	122.6797	29.494	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	118.8850	0.000	1	118.8850	0.000	1	122.6797	29.494	4	122.6797	29.494	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHN)3	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHN)3	N(NCH)(H)2	130.4510	0.000	1	130.4510	0.000	1	122.6797	29.494	4	122.6797	29.494	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NOsH)(NHH)(NHN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NOsH)(NHH)(NHN)	N(NCH)(H)2	122.3920	0.000	1	122.3920	0.000	1	122.6797	29.494	4	122.6797	29.494	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C[5]-3:N-3:	C-3:N-3:H-1:	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	N(CC[5a]O)(NCH)(H)	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	N(CC[5a]O)(NCH)(H)	122.7450	0.000	1	122.7450	0.000	1	122.4100	0.224	2	120.7950	4.396	7	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C[5]-3:N-3:	C-3:N-3:H-1:	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	N(CC[6a]O)(NCH)(H)	122.0750	0.000	1	122.0750	0.000	1	122.4100	0.224	2	120.7950	4.396	7	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:N-3:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CCO)(NCH)(H)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CCO)(NCH)(H)	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	120.7950	4.396	7	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CCO)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CCO)(NCH)(H)	121.8360	0.150	2	121.8360	0.022	2	119.9920	6.118	4	120.7950	4.396	7	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CNN)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CNN)(NCH)(H)	116.6100	0.000	1	116.6100	0.000	1	119.9920	6.118	4	120.7950	4.396	7	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(COO)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(COO)(NCH)(H)	119.6860	0.000	1	119.6860	0.000	1	119.9920	6.118	4	120.7950	4.396	7	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:3:3:	4:3:1:	N-3:C-3:H-1:	N-3:N-3:N-3:	C[5]-4:N-3:H-1:	N(NC[5]H)(CNN)(H)	C(NHH)2(NHN)	N(C[5]C[5]N[5]C)(NCH)(H)	N(NC[5]H)(CNN)(H)	C(NHH)2(NHN)	N(C[5]C[5]N[5]C)(NCH)(H)	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	C-3:N-3:H-1:	N(CC[5]C)(NCH)(H)	C(C[5]C[5]2)(CH3)(NHN)	N(CNS)(NCH)(H)	N(CC[5]C)(NCH)(H)	C(C[5]C[5]2)(CH3)(NHN)	N(CNS)(NCH)(H)	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	122.4610	2.306	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:C-4:N-3:	C-3:N-3:H-1:	N(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHN)	N(COO)(NCH)(H)	N(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHN)	N(COO)(NCH)(H)	122.3330	0.000	1	122.3330	0.000	1	122.3330	0.000	1	122.4610	2.306	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	C-3:N-3:H-1:	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(CC[5a]O)(NCH)(H)	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(CC[5a]O)(NCH)(H)	122.9790	0.000	1	122.9790	0.000	1	123.8685	1.582	2	122.4610	2.306	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	C-3:N-3:H-1:	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(CNO)(NCH)(H)	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(CNO)(NCH)(H)	124.7580	0.000	1	124.7580	0.000	1	123.8685	1.582	2	122.4610	2.306	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:H-1:	N-3:C-4:N-3:	C-3:N-3:H-1:	N(CCN)(NCH)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(CCO)(NCH)(H)	N(CCN)(NCH)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(CCO)(NCH)(H)	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	122.4610	2.306	5	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	N(NCH)(H)2	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	N(CC[6a]O)(NCH)(H)	117.8110	0.000	1	117.8110	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	N(CCO)(NCH)(H)	120.0230	0.000	1	120.0230	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.0090	0.267	2	119.0090	0.071	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	N(CC[5a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	N(CC[5a]O)(NCH)(H)	119.5770	0.000	1	119.5770	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.8540	1.111	6	119.8540	1.234	6	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	N(CNN)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	N(CNN)(NCH)(H)	119.6200	1.570	2	119.6200	2.464	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	N(CNO)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	N(CNO)(NCH)(H)	119.4900	0.000	1	119.4900	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	N(CNS)(NCH)(H)	119.0285	1.074	2	119.0285	1.154	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	N(CCO)(NCH)(H)	120.9310	0.049	2	120.9310	0.002	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	N(CNS)(NCH)(H)	118.6770	0.000	1	118.6770	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC[6]HH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CC[6]HH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	120.0940	0.000	1	120.0940	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC[6a]2O)(NHN)(O)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	C(CC[6a]2O)(NHN)(O)	N(CNS)(NCH)(H)	120.8565	0.114	2	120.8565	0.013	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	N(CCO)(NCH)(H)	118.8775	0.052	2	118.8775	0.003	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	117.7180	0.000	1	117.7180	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CCN)(NCH)(H)	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CCN)(NCH)(H)	120.0820	0.000	1	120.0820	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CCO)(NCH)(H)	118.4425	2.972	2	118.4425	8.833	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CC[6]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CC[6]O)(NCH)(H)	120.3700	0.000	1	120.3700	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	N(CC[6a]O)(NCH)(H)	117.4265	0.740	2	117.4265	0.548	2	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	N(CCO)(NCH)(H)	122.6720	0.000	1	122.6720	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	N(CNO)(NCH)(H)	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	N(CNO)(NCH)(H)	121.5520	0.000	1	121.5520	0.000	1	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	N(CCO)(NCH)(H)	119.3585	0.333	4	119.3585	0.111	4	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	N(CNS)(NCH)(H)	120.1929	1.198	8	120.1929	1.436	8	119.6567	1.733	45	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C[4]-4:N-3:O-1:	C-3:N-3:H-1:	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	N(CCO)(NCH)(H)	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	N(CCO)(NCH)(H)	120.4910	0.000	1	120.4910	0.000	1	121.6047	3.081	3	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C[4]-4:N-3:O-1:	C-3:N-3:H-1:	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	N(CC[4]O)(NCH)(H)	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	N(CC[4]O)(NCH)(H)	122.1615	2.074	2	122.1615	4.301	2	121.6047	3.081	3	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C[5]-4:N-3:O-1:	C-3:N-3:H-1:	N(CC[5]O)(NCH)(H)	C(C[5]C[5]2Fe)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]2Fe)(NHN)(O)	N(CC[6a]O)(NCH)(H)	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	N(C[6a]N[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	N(C[6a]N[6a]2)(NCH)(H)	119.2730	0.000	1	119.2730	0.000	1	119.2730	0.000	1	119.7069	2.092	50	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	4:3:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-3:N-3:	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	N(CCHH)(CCO)(NCH)	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	N(CCHH)(CCO)(NCH)	119.4790	0.000	1	119.4790	0.000	1	120.7510	3.236	2	120.7510	3.236	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:1:	4:3:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-3:N-3:	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CH3)(CNO)(NCH)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CH3)(CNO)(NCH)	122.0230	0.000	1	122.0230	0.000	1	120.7510	3.236	2	120.7510	3.236	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:2:	3:3:1:	N-3:C-3:H-1:	C-4:N-3:N-2:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCN)(H)	C(CH3)(NHN)(NH)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCN)(H)	C(CH3)(NHN)(NH)	N(C[6a]C[6a]2)(NCH)(H)	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:N-3:	C-3:N-3:H-1:	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	N(CC[6a]O)(NCH)(H)	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	N(CC[6a]O)(NCH)(H)	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:H-1:	C-4:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(NC[6a]2)(CCC)(H)	C(CH3)(CCH)(NHN)	N(C[6a]C[6a]2)2(NCH)	N(NC[6a]2)(CCC)(H)	C(CH3)(CCH)(NHN)	N(C[6a]C[6a]2)2(NCH)	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:3:1:	3:4:3:	C-3:N-3:S-2:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(SN)	C(C[6a]C[6a]2)(NNS)(O)	N(CC[6a]O)(CC3)(NCS)	N(CC[6a]O)(NCC)(SN)	C(C[6a]C[6a]2)(NNS)(O)	N(CC[6a]O)(CC3)(NCS)	116.3395	0.943	2	116.3395	0.888	2	115.8400	1.193	3	115.8400	1.193	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:3:1:	3:4:3:	C-3:N-3:S-2:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(SO)	C(C[6a]C[6a]2)(NNS)(O)	N(CC[6a]O)(CC3)(NCS)	N(CC[6a]O)(NCC)(SO)	C(C[6a]C[6a]2)(NNS)(O)	N(CC[6a]O)(CC3)(NCS)	114.8410	0.000	1	114.8410	0.000	1	115.8400	1.193	3	115.8400	1.193	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCN)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCN)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	118.1260	0.000	1	118.1260	0.000	1	118.6164	0.381	5	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CC[6a]C[5])(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CC[6a]C[5])(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	118.2905	0.484	2	118.2905	0.235	2	118.6164	0.381	5	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)2(NCH)	C(NCN)(OC)(O)	N(CC[6a]O)(NCC)(H)	N(COO)2(NCH)	C(NCN)(OC)(O)	N(CC[6a]O)(NCC)(H)	119.1875	0.428	2	119.1875	0.183	2	118.6164	0.381	5	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5a]C[5a]S[5a])(COO)(NCH)	C(NC[5a]N)(OC)(O)	N(NC[5a]C)(COO)(H)	N(C[5a]C[5a]S[5a])(COO)(NCH)	C(NC[5a]N)(OC)(O)	N(NC[5a]C)(COO)(H)	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	116.0480	0.000	2	116.0480	0.000	2	116.4340	0.560	4	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	116.0840	0.000	1	116.0840	0.000	1	116.4340	0.560	4	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	117.5560	0.000	1	117.5560	0.000	1	116.4340	0.560	4	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:N-3:C-3:	N-3:O-2:O-1:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C(NC[6a]N)(OC)(O)	N(C[6a]N[6a]2)(NC[6a]C)(H)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C(NC[6a]N)(OC)(O)	N(C[6a]N[6a]2)(NC[6a]C)(H)	116.3864	1.918	11	116.3864	3.677	11	116.3864	3.677	11	116.9332	2.929	21	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:2:1:	4:3:3:	C-3:C-3:N-3:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(CCN)(COO)(NCC)	C(NCN)(OC)(O)	N(CC[6a]CH)(COO)(NCC)	N(CCN)(COO)(NCC)	C(NCN)(OC)(O)	N(CC[6a]CH)(COO)(NCC)	119.3625	3.583	2	119.3625	12.837	2	119.3625	12.837	2	119.3625	12.837	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:N-1:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(N)	N(CC[6a]O)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(N)	N(CC[6a]O)(NC[6a]C)(H)	116.4010	0.000	1	116.4010	0.000	1	116.4010	0.000	1	117.5493	1.773	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(O)	N(CC[6a]O)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(O)	N(CC[6a]O)(NC[6a]C)(H)	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	117.5493	1.773	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:C-3:O-1:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCO)(NCH)	C(NC[6a]N)(CCC)(O)	N(CC[6a]O)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCO)(NCH)	C(NC[6a]N)(CCC)(O)	N(CC[6a]O)(NC[6a]C)(H)	117.2380	0.000	1	117.2380	0.000	1	117.2380	0.000	1	117.5493	1.773	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:	C-3:C-3:N-3:	N(CC[6a]O)(CCO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(CCO)(NCC)	N(CC[6a]O)(CCO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(CCO)(NCC)	119.6140	0.640	4	119.6140	0.409	4	119.6140	0.409	4	119.6140	0.409	4	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:1:	3:4:3:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(CCO)(NCC)	C(COO)(NCN)(O)	N(CC[6a]O)(CC3)(NCC)	N(CC[6a]O)(CCO)(NCC)	C(COO)(NCN)(O)	N(CC[6a]O)(CC3)(NCC)	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	116.2050	0.414	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:1:	3:4:3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(CCO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(CC3)(NCC)	N(CC[6a]O)(CCO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(CC3)(NCC)	116.6600	0.000	1	116.6600	0.000	1	116.6600	0.000	1	116.2050	0.414	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N-3:C-3:	N-3:N-3:N-2:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	C(NC[6a]N)(NCH)(NC)	N(C[6a]C[6a]2)(NC[6a]C)(H)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	C(NC[6a]N)(NCH)(NC)	N(C[6a]C[6a]2)(NC[6a]C)(H)	117.5080	0.000	1	117.5080	0.000	1	117.5080	0.000	1	117.5080	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:N-3:	C-3:N-3:H-1:	N(CCN)(COO)(NCH)	C(CC[6]H)(NCN)(NOO)	N(COO)(NCC)(H)	N(CCN)(COO)(NCH)	C(CC[6]H)(NCN)(NOO)	N(COO)(NCC)(H)	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	116.1583	0.038	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:N-3:	C[5]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(CC[6a]C[5])(COO)(NCH)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCN)	N(COO)(NCC)(H)	N(CC[6a]C[5])(COO)(NCH)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCN)	N(COO)(NCC)(H)	116.0530	0.099	2	116.0530	0.010	2	116.0530	0.010	2	116.1583	0.038	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	3:3:3:	4:3:3:	C-3:C-3:N-3:	C-3:N-3:N-3:	C-4:C-3:N-3:	N(CCN)(COO)(NCC)	C(CC[6a]H)(NCN)(NOO)	N(CC[6a]CH)(COO)(NCC)	N(CCN)(COO)(NCC)	C(CC[6a]H)(NCN)(NOO)	N(CC[6a]CH)(COO)(NCC)	117.0305	0.029	2	117.0305	0.001	2	117.0305	0.001	2	117.0305	0.001	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	4:3:1:	3:3:3:	C-3:C-3:N-3:	C-4:N-3:O-1:	C-3:C-3:N-3:	N(CCO)2(NCC)	C(CH3)(NCN)(O)	N(CCO)2(NCC)	N(CCO)2(NCC)	C(CH3)(NCN)(O)	N(CCO)2(NCC)	116.4463	2.006	6	116.4463	4.025	6	114.8994	4.844	12	114.8994	4.844	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	4:3:1:	3:3:3:	C-3:C-3:N-3:	C-4:N-3:O-1:	C-3:C-3:N-3:	N(CCO)2(NCC)	C(CHHO)(NCN)(O)	N(CCO)2(NCC)	N(CCO)2(NCC)	C(CHHO)(NCN)(O)	N(CCO)2(NCC)	114.4015	0.606	2	114.4015	0.367	2	114.8994	4.844	12	114.8994	4.844	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:3:3:	4:3:1:	3:3:3:	C-3:C-3:N-3:	C-4:N-3:O-1:	C-3:C-3:N-3:	N(CC[6a]O)(CCO)(NCC)	C(CCHO)(NCN)(O)	N(CC[6a]O)(CCO)(NCC)	N(CC[6a]O)(CCO)(NCC)	C(CCHO)(NCN)(O)	N(CC[6a]O)(CCO)(NCC)	112.8280	0.507	4	112.8280	0.257	4	114.8994	4.844	12	114.8994	4.844	12	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:2:3:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-3:S-2:N-3:	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(SN[5])(NCC)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(SN[5])(NCC)	113.4230	0.000	1	113.4230	0.000	1	113.4230	0.000	1	113.4230	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:N-3:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(CC3)(NCH)	C(C[5a]C[5a]S[5a])(NCN)(O)	N(CC[6a]O)(NCC)(H)	N(CC[5a]O)(CC3)(NCH)	C(C[5a]C[5a]S[5a])(NCN)(O)	N(CC[6a]O)(NCC)(H)	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	117.8007	1.032	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(CC3)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(H)	N(CC[6a]O)(CC3)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(H)	117.3535	0.930	2	117.3535	0.865	2	117.3535	0.865	2	117.8007	1.032	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-3:N-3:S-2:	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(SN)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(SN)	114.3110	1.413	2	114.3110	1.996	2	115.0217	2.513	3	115.0217	2.513	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-3:N-3:S-2:	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(SO)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(SO)	116.4430	0.000	1	116.4430	0.000	1	115.0217	2.513	3	115.0217	2.513	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:3:3:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-3:C-3:N-3:	N(CC[6a]O)(CC3)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(CCO)(NCC)	N(CC[6a]O)(CC3)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(CCO)(NCC)	115.9600	0.000	1	115.9600	0.000	1	115.9600	0.000	1	115.9600	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	2:3:1:	3:3:1:	C[5]-4:C-3:N-3:	O-2:N-3:O-1:	N-3:C-3:H-1:	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	C(OC[3x6])(NC[5]N)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	C(OC[3x6])(NC[5]N)(O)	N(NC[5]C)(COO)(H)	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CC3)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CC3)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	119.0860	0.000	1	119.0860	0.000	1	119.9912	1.139	5	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCCH)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCCH)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	120.1280	0.000	1	120.1280	0.000	1	119.9912	1.139	5	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCFF)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCFF)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	120.6940	0.000	1	120.6940	0.000	1	119.9912	1.139	5	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CC[5a]C[5]H)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CC[5a]C[5]H)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	121.2930	0.000	1	121.2930	0.000	1	119.9912	1.139	5	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	118.7550	0.000	1	118.7550	0.000	1	119.9912	1.139	5	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:S-2:S-1:	C-3:N-3:H-1:	N(CH3)(CSS)(NCH)	C(NCN)(SC)(S)	N(CC[6a]O)(NCC)(H)	N(CH3)(CSS)(NCH)	C(NCN)(SC)(S)	N(CC[6a]O)(NCC)(H)	118.3970	0.250	2	118.3970	0.063	2	118.3970	0.063	2	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	121.2640	0.000	1	121.2640	0.000	1	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	115.1100	0.209	2	115.1100	0.044	2	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	120.5270	0.000	2	120.5270	0.000	2	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	118.7610	2.379	4	118.7610	5.658	4	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]O[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]O[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	120.2000	0.000	1	120.2000	0.000	1	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]S[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]S[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	116.1970	0.000	1	116.1970	0.000	1	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	119.6400	0.000	1	119.6400	0.000	1	118.6349	5.946	12	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[6]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C(NC[6]N)(OC)(O)	N(NC[6]C)(COO)(H)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C(NC[6]N)(OC)(O)	N(NC[6]C)(COO)(H)	115.1220	0.133	2	115.1220	0.018	2	115.5470	0.551	3	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[6]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6]C[6]2C)(COO)(NCH)	C(NC[6]N)(OC)(O)	N(NC[6]C)(COO)(H)	N(C[6]C[6]2C)(COO)(NCH)	C(NC[6]N)(OC)(O)	N(NC[6]C)(COO)(H)	116.3970	0.000	1	116.3970	0.000	1	115.5470	0.551	3	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	P[4]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	N(NP[4]C)(COO)(H)	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	N(NP[4]C)(COO)(H)	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	S-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(SCOO)(COO)(NCH)	C(NNS)(OC)(O)	N(COO)(NCS)(H)	N(SCOO)(COO)(NCH)	C(NNS)(OC)(O)	N(COO)(NCS)(H)	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	118.5023	4.777	24	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:3:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:C-3:N-3:	N(CC[6a]CH)(COO)(NCC)	C(NCN)(OC)(O)	N(CCN)(COO)(NCC)	N(CC[6a]CH)(COO)(NCC)	C(NCN)(OC)(O)	N(CCN)(COO)(NCC)	118.0070	3.674	2	118.0070	13.499	2	118.0070	13.499	2	118.0070	13.499	2	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	N(CC[6a]CH)(CCH)(NCH)	C(CCH)(NCN)(H)	N(COO)(NCC)(H)	N(CC[6a]CH)(CCH)(NCH)	C(CCH)(NCN)(H)	N(COO)(NCC)(H)	121.7610	0.000	1	121.7610	0.000	1	121.7610	0.000	1	119.2083	1.925	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CCCH)(CNO)(NCH)	C(NCN)(NHN)(O)	N(COO)(NCC)(H)	N(CCCH)(CNO)(NCH)	C(NCN)(NHN)(O)	N(COO)(NCC)(H)	118.3475	0.244	2	118.3475	0.060	2	118.6978	0.452	5	119.2083	1.925	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CH3)(CNO)(NCH)	C(NCH)(NCN)(O)	N(CNO)(NCC)(H)	N(CH3)(CNO)(NCH)	C(NCH)(NCN)(O)	N(CNO)(NCC)(H)	118.4940	0.437	2	118.4940	0.191	2	118.6978	0.452	5	119.2083	1.925	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CH3)(CNO)(NCH)	C(NCN)(NHH)(O)	N(CCO)(NCC)(H)	N(CH3)(CNO)(NCH)	C(NCN)(NHH)(O)	N(CCO)(NCC)(H)	119.8060	0.000	1	119.8060	0.000	1	118.6978	0.452	5	119.2083	1.925	6	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:1:	4:3:3:	C-4:C-3:N-3:	N-3:N-3:O-1:	C-4:C-3:N-3:	N(CH3)(CNO)(NCC)	C(NCN)(NHH)(O)	N(CH3)(CCO)(NCC)	N(CH3)(CNO)(NCC)	C(NCN)(NHH)(O)	N(CH3)(CCO)(NCC)	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:2:	3:2:1:	C-4:C-3:N-3:	N-3:N-3:N-2:	N-3:O-2:O-1:	N(CH3)(CNN)(NOO)	C(NCN)(NHH)(NN)	N(NCC)(OH)(O)	N(CH3)(CNN)(NOO)	C(NCN)(NHH)(NN)	N(NCC)(OH)(O)	122.6390	0.000	1	122.6390	0.000	1	122.6390	0.000	1	122.6390	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	3:3:3:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:N-3:	C-3:N-3:H-1:	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	N(COO)(NCC)(H)	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	N(COO)(NCC)(H)	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:N-3:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCHH)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CCO)(NCC)(H)	N(CCHH)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CCO)(NCC)(H)	120.8010	0.000	1	120.8010	0.000	1	120.1090	2.225	3	120.1090	2.225	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:N-3:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]HO)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CC[6a]O)(NCC)(H)	N(CC[5a]HO)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CC[6a]O)(NCC)(H)	121.1290	0.000	1	121.1290	0.000	1	120.1090	2.225	3	120.1090	2.225	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:N-3:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CH3)(CCO)(NCH)	C(CCHH)(NCN)(O)	N(CC[6a]O)(NCC)(H)	N(CH3)(CCO)(NCH)	C(CCHH)(NCN)(O)	N(CC[6a]O)(NCC)(H)	118.3970	0.000	1	118.3970	0.000	1	120.1090	2.225	3	120.1090	2.225	3	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP2	N	C	N	4:3:3:	4:3:1:	4:3:3:	C-4:C-3:N-3:	C-4:N-3:O-1:	C-4:C-3:N-3:	N(CH3)(CCO)(NCC)	C(CHHN)(NCN)(O)	N(CH3)(CNO)(NCC)	N(CH3)(CCO)(NCC)	C(CHHN)(NCN)(O)	N(CH3)(CNO)(NCC)	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	119.4662	5.949	508	119.4662	5.949	508
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:1:1:	3:1:1:	C-3:N-3:H-1:	N-3:H-1:O-1:	N-3:H-1:H-1:	N(CHO)(NHH)(H)	C(NHN)(H)(O)	N(NCH)(H)2	N(CHO)(NHH)(H)	C(NHN)(H)(O)	N(NCH)(H)2	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	3:1:1:	C-3:N-3:H-1:	N-3:S-2:S-1:	N-3:H-1:H-1:	N(CSS)(NHH)(H)	C(NHN)(SC)(S)	N(NCH)(H)2	N(CSS)(NHH)(H)	C(NHN)(SC)(S)	N(NCH)(H)2	121.7440	1.072	2	121.7440	1.149	2	121.7440	1.149	2	121.7440	1.149	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(COO)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(COO)(NCH)(H)	118.8595	0.293	2	118.8595	0.086	2	118.8595	0.086	2	120.0690	1.986	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(NCH)(H)	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	120.0690	1.986	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:H-1:	N-3:S-2:S-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CSS)(H)	C(NHN)(SC)(S)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CSS)(H)	C(NHN)(SC)(S)	N(C[6a]C[6a]2)(NCH)(H)	120.2300	0.696	2	120.2300	0.484	2	120.2300	0.484	2	120.0690	1.986	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CCHH)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CCHH)(NCH)(H)	120.0920	0.000	1	120.0920	0.000	1	120.3310	0.114	2	119.5398	1.865	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(NCH)(H)	120.5700	0.000	1	120.5700	0.000	1	120.3310	0.114	2	119.5398	1.865	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	P-4:N-3:H-1:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PC[6a]NO)(NCH)(H)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PC[6a]NO)(NCH)(H)	120.2730	0.000	1	120.2730	0.000	1	119.8520	0.662	3	119.5398	1.865	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	P-4:N-3:H-1:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PNOO)(NCH)(H)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PNOO)(NCH)(H)	118.9140	0.000	1	118.9140	0.000	1	119.8520	0.662	3	119.5398	1.865	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	P-4:N-3:H-1:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PO3)(NCH)(H)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PO3)(NCH)(H)	120.3690	0.000	1	120.3690	0.000	1	119.8520	0.662	3	119.5398	1.865	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6]-4:N-3:H-1:	N(NC[6]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[5a]C[6]2)(NCH)(H)	N(NC[6]H)(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[5a]C[6]2)(NCH)(H)	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	119.5398	1.865	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCHH)(CCC)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCHH)(CCC)(NCH)	119.3530	0.000	1	119.3530	0.000	1	118.8950	0.420	2	118.8110	0.149	4	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CH3)(CNO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CH3)(CNO)(NCH)	118.4370	0.000	1	118.4370	0.000	1	118.8950	0.420	2	118.8110	0.149	4	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[3x4]-4:C-3:N-3:	N(NC[3x4]C)(COO)(H)	C(NHN)(OC)(O)	N(C[3x4]C[4,4]3)(COO)(NCH)	N(NC[3x4]C)(COO)(H)	C(NHN)(OC)(O)	N(C[3x4]C[4,4]3)(COO)(NCH)	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	118.8110	0.149	4	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]2C)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]2C)(COO)(NCH)	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	118.8110	0.149	4	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:4:3:	C-3:N-3:H-1:	N-3:N-2:O-1:	C-4:C-4:N-3:	N(CNO)(NCC)(H)	C(NHN)(NS)(O)	N(CCHH)2(NCH)	N(CNO)(NCC)(H)	C(NHN)(NS)(O)	N(CCHH)2(NCH)	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	119.9493	0.548	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:4:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-4:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(CCHH)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(CCHH)(NCH)	119.0950	0.000	1	119.0950	0.000	1	119.8768	0.646	5	119.9493	0.548	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:4:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-4:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]HH)(CCCH)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]HH)(CCCH)(NCH)	121.2370	0.000	1	121.2370	0.000	1	119.8768	0.646	5	119.9493	0.548	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:4:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-4:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]HH)(CCHH)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]HH)(CCHH)(NCH)	119.6840	0.070	3	119.6840	0.005	3	119.8768	0.646	5	119.9493	0.548	6	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CCH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CCH)(NHN)(O)	N(NCH)(H)2	123.0540	0.000	1	123.0540	0.000	1	122.0399	2.558	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	N(NCH)(H)2	121.2645	3.000	2	121.2645	9.002	2	122.0399	2.558	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	N(NCH)(H)2	122.1166	1.399	7	122.1166	1.958	7	122.0399	2.558	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(NCH)(H)2	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(NCH)(H)2	123.3810	0.000	1	123.3810	0.000	1	121.9720	0.906	15	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(NCH)(H)2	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(NCH)(H)2	122.2787	0.730	9	122.2787	0.533	9	121.9720	0.906	15	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(NCH)(H)2	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(NCH)(H)2	121.1827	0.419	3	121.1827	0.176	3	121.9720	0.906	15	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(NCH)(H)2	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(NCH)(H)2	122.0070	0.000	1	122.0070	0.000	1	121.9720	0.906	15	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[5a]O)(NHH)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(NCH)(H)2	N(CC[5a]O)(NHH)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(NCH)(H)2	120.1360	0.000	1	120.1360	0.000	1	121.9720	0.906	15	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[6]O)(NHH)(H)	C(C[6]C[6]2)(NHN)(O)	N(NCH)(H)2	N(CC[6]O)(NHH)(H)	C(C[6]C[6]2)(NHN)(O)	N(NCH)(H)2	120.4166	1.293	14	120.4166	1.672	14	120.4166	1.672	14	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(NCH)(H)2	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(NCH)(H)2	122.0703	1.010	108	122.0703	1.019	108	122.0810	0.997	113	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(NCH)(H)2	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(NCH)(H)2	122.3114	0.768	5	122.3114	0.589	5	122.0810	0.997	113	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:N-3:S-1:	N-3:H-1:H-1:	N(CC[6a]S)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(S)	N(NCH)(H)2	N(CC[6a]S)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(S)	N(NCH)(H)2	123.7290	0.000	1	123.7290	0.000	1	123.7290	0.000	1	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:H-1:H-1:	N(CNO)(NHH)(H)	C(NC[6a]H)(NHN)(O)	N(NCH)(H)2	N(CNO)(NHH)(H)	C(NC[6a]H)(NHN)(O)	N(NCH)(H)2	120.1790	0.000	1	120.1790	0.000	1	120.2724	2.359	8	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:H-1:H-1:	N(CNO)(NHH)(H)	C(NC[6a]O)(NHN)(O)	N(NCH)(H)2	N(CNO)(NHH)(H)	C(NC[6a]O)(NHN)(O)	N(NCH)(H)2	121.5710	0.000	1	121.5710	0.000	1	120.2724	2.359	8	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:H-1:H-1:	N(CNO)(NHH)(H)	C(NHN)2(O)	N(NCH)(H)2	N(CNO)(NHH)(H)	C(NHN)2(O)	N(NCH)(H)2	120.0715	1.707	6	120.0715	2.914	6	120.2724	2.359	8	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NCH)(NHN)(S)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NCH)(NHN)(S)	N(NCH)(H)2	119.9240	0.805	2	119.9240	0.648	2	120.7686	3.160	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NC[6]H)(NHN)(S)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NC[6]H)(NHN)(S)	N(NCH)(H)2	121.0390	0.000	1	121.0390	0.000	1	120.7686	3.160	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NC[6a]H)(NHN)(S)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NC[6a]H)(NHN)(S)	N(NCH)(H)2	120.1882	0.222	6	120.1882	0.049	6	120.7686	3.160	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NHN)2(S)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NHN)2(S)	N(NCH)(H)2	125.6700	0.000	1	125.6700	0.000	1	120.7686	3.160	10	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:P-3:O-1:	N-3:H-1:H-1:	N(COP)(NHH)(H)	C(NHN)(PHH)(O)	N(NCH)(H)2	N(COP)(NHH)(H)	C(NHN)(PHH)(O)	N(NCH)(H)2	118.7000	0.431	2	118.7000	0.186	2	118.7000	0.186	2	121.7454	1.760	173	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CNS)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CNS)(NCH)(H)	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]O)(NCH)(H)	118.2810	0.000	1	118.2810	0.000	1	118.7464	0.426	5	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.1070	0.000	1	119.1070	0.000	1	118.7464	0.426	5	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNO)(NCH)(H)	118.7813	0.823	3	118.7813	0.677	3	118.7464	0.426	5	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	120.4942	0.353	4	120.4942	0.124	4	120.4942	0.124	4	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	121.7430	0.000	1	121.7430	0.000	1	121.7430	0.000	1	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CC[6a]O)(NCH)(H)	122.2095	0.323	2	122.2095	0.104	2	121.6478	0.527	4	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	121.0860	0.462	2	121.0860	0.214	2	121.6478	0.527	4	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:N-3:S-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(NCH)(H)	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	120.1891	1.922	16	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(CCCH)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(CCCH)(NCH)	118.6770	0.839	2	118.6770	0.703	2	118.6770	0.703	2	118.6770	0.703	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	P-4:N-3:H-1:	N(CC[5a]O)(NHP)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(PC[6a]2O)(NCH)(H)	N(CC[5a]O)(NHP)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(PC[6a]2O)(NCH)(H)	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	S-4:N-3:H-1:	N(CC[5a]O)(NHS)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(SC[6a]OO)(NCH)(H)	N(CC[5a]O)(NHS)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(SC[6a]OO)(NCH)(H)	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCCH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCCH)(NCH)(H)	121.1942	1.458	4	121.1942	2.126	4	121.7021	1.720	7	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]CH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]CH)(NCH)(H)	123.0030	0.000	1	123.0030	0.000	1	121.7021	1.720	7	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(NCH)(H)	122.0675	0.975	2	122.0675	0.951	2	121.7021	1.720	7	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6]-4:N-3:H-1:	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	S-4:N-3:H-1:	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(SC[6a]OO)(NCH)(H)	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(SC[6a]OO)(NCH)(H)	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-4:N-3:H-1:	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CCCH)(NCH)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CCCH)(NCH)(H)	119.9385	0.725	2	119.9385	0.525	2	119.9385	0.525	2	120.9512	3.908	13	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-4:C-4:N-3:	N(CCH)(NCC)(H)	C(CCS)(NHN)(H)	N(CH3)2(NCH)	N(CCH)(NCC)(H)	C(CCS)(NHN)(H)	N(CH3)2(NCH)	120.5570	0.000	1	120.5570	0.000	1	120.5570	0.000	1	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6]-3:N-3:H-1:	P-4:C-4:N-3:	N(CC[6]H)(NCP)(H)	C(C[6]C[6]2)(NHN)(H)	N(POOS)(CH3)(NCH)	N(CC[6]H)(NCP)(H)	C(C[6]C[6]2)(NHN)(H)	N(POOS)(CH3)(NCH)	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-4:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]CH)(CC[6a]HH)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]CH)(CC[6a]HH)(NCH)	120.0750	0.000	1	120.0750	0.000	1	119.5010	1.312	4	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-4:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)2(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)2(NCH)	119.3097	1.322	3	119.3097	1.748	3	119.5010	1.312	4	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	P-4:C-4:N-3:	N(CC[6a]O)(NCP)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(POOS)(CH3)(NCH)	N(CC[6a]O)(NCP)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(POOS)(CH3)(NCH)	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	S-4:C-4:N-3:	N(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(SC[6a]OO)(CH3)(NCH)	N(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(SC[6a]OO)(CH3)(NCH)	117.8700	0.000	1	117.8700	0.000	1	117.8700	0.000	1	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-4:C-4:N-3:	N(CNO)(NCC)(H)	C(NHN)(NHS)(O)	N(CCHH)2(NCH)	N(CNO)(NCC)(H)	C(NHN)(NHS)(O)	N(CCHH)2(NCH)	119.0169	2.663	14	119.0169	7.092	14	119.0169	7.092	14	119.3138	5.145	22	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	C[6]-3:N-3:N-2:	N-3:H-1:H-1:	N(CC[6]N)(NHH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	N(NCH)(H)2	N(CC[6]N)(NHH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	N(NCH)(H)2	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)(NHN)(NH)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)(NHN)(NH)	N(NCH)(H)2	119.4200	0.059	2	119.4200	0.004	2	118.4960	0.789	5	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)(NHN)(NN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)(NHN)(NN)	N(NCH)(H)2	117.6030	0.000	1	117.6030	0.000	1	118.4960	0.789	5	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHN)2(NN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHN)2(NN)	N(NCH)(H)2	118.0185	0.438	2	118.0185	0.192	2	118.4960	0.789	5	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCd)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCd)	N(NCH)(H)2	119.2290	0.000	1	119.2290	0.000	1	119.3173	0.874	3	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCu)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCu)	N(NCH)(H)2	120.2930	0.000	1	120.2930	0.000	1	119.3173	0.874	3	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(NHN)2(SFe)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(NHN)2(SFe)	N(NCH)(H)2	118.4300	0.000	1	118.4300	0.000	1	119.3173	0.874	3	118.7241	0.828	9	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:N-2:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(NC)	N(CNS)(NCH)(H)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(NC)	N(CNS)(NCH)(H)	121.8260	0.000	1	121.8260	0.000	1	121.8260	0.000	1	121.2065	0.768	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:N-2:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)(NHN)(NN)	N(CNO)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)(NHN)(NN)	N(CNO)(NCH)(H)	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	121.2065	0.768	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:N-3:N-3:	N-3:H-1:H-1:	N(CC[6a]N)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(NCH)(H)2	N(CC[6a]N)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(NCH)(H)2	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	118.7601	3.044	150	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(NCH)(H)2	118.8107	1.737	48	118.8107	3.017	48	118.7363	3.042	148	118.7601	3.044	150	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	119.0363	1.332	46	119.0363	1.775	46	118.7363	3.042	148	118.7601	3.044	150	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHN)3	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHN)3	N(NCH)(H)2	118.4147	2.017	54	118.4147	4.067	54	118.7363	3.042	148	118.7601	3.044	150	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	S-3:N-3:N-3:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	C(SCu2)(NHH)(NHN)	N(NCH)(H)2	N(CNS)(NHH)(H)	C(SCu2)(NHH)(NHN)	N(NCH)(H)2	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	118.7601	3.044	150	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]C[5])(NC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]C[5])(NC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	N(C[6a]C[6a]2)(NCH)(H)	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	120.6850	3.349	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CC[6a]O)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CC[6a]O)(NCH)(H)	119.3910	0.000	1	119.3910	0.000	1	119.3910	0.000	1	120.6850	3.349	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	C-4:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CHHN)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CHHN)(NCH)(H)	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[5]-3:C[6a]-3:N-3:	C-4:C-4:N-3:	N(CC[6a]C[5])(NCC)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	N(CC[6a]HH)(CH3)(NCH)	N(CC[6a]C[5])(NCC)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	N(CC[6a]HH)(CH3)(NCH)	128.0185	0.504	2	128.0185	0.254	2	128.0185	0.254	2	128.0185	0.254	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:4:3:	3:1:1:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	N-3:H-1:H-1:	N(CC[6]C)(NHH)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(NCH)(H)2	N(CC[6]C)(NHH)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(NCH)(H)2	122.2040	0.000	1	122.2040	0.000	1	122.2040	0.000	1	122.2040	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:4:3:	3:3:1:	N-3:C-3:H-1:	C[5]-3:C-4:N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(NHN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(NHN)	N(C[6a]C[6a]2)(NCH)(H)	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	S-4:N-3:H-1:	N(CC[5]C)(NHS)(H)	C(C[5]C[5]2)(CCHH)(NHN)	N(SC[6a]OO)(NCH)(H)	N(CC[5]C)(NHS)(H)	C(C[5]C[5]2)(CCHH)(NHN)	N(SC[6a]OO)(NCH)(H)	121.6775	1.974	2	121.6775	3.895	2	121.6775	3.895	2	121.4430	2.112	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	S-4:N-3:H-1:	N(CC[6]C)(NHS)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(SC[6a]OO)(NCH)(H)	N(CC[6]C)(NHS)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(SC[6a]OO)(NCH)(H)	120.9740	0.000	1	120.9740	0.000	1	120.9740	0.000	1	121.4430	2.112	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	C-4:C-4:N-3:	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	N(CC[6a]HH)(CCHH)(NCH)	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	N(CC[6a]HH)(CCHH)(NCH)	127.1255	0.124	2	127.1255	0.015	2	127.2647	0.066	3	127.2647	0.066	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	C-4:C-4:N-3:	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	N(CC[6a]HH)(CH3)(NCH)	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	N(CC[6a]HH)(CH3)(NCH)	127.5430	0.000	1	127.5430	0.000	1	127.2647	0.066	3	127.2647	0.066	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CCCH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CCCH)(NHN)(O)	N(NCH)(H)2	123.2870	0.000	1	123.2870	0.000	1	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	N(NCH)(H)2	122.8930	0.546	6	122.8930	0.298	6	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	N(NCH)(H)2	122.4100	0.827	4	122.4100	0.684	4	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	N(NCH)(H)2	122.3107	1.153	3	122.3107	1.330	3	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	N(NCH)(H)2	121.4027	1.424	3	121.4027	2.028	3	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	N(NCH)(H)2	122.5240	0.900	4	122.5240	0.809	4	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CH3)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CH3)(NHN)(O)	N(NCH)(H)2	123.3280	1.083	2	123.3280	1.174	2	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	N(NCH)(H)2	122.5980	0.000	1	122.5980	0.000	1	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	N(NCH)(H)2	121.9113	0.726	7	121.9113	0.527	7	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	N(NCH)(H)2	123.2615	0.534	2	123.2615	0.285	2	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CN[6]HH)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CN[6]HH)(NHN)(O)	N(NCH)(H)2	122.9200	0.000	1	122.9200	0.000	1	122.4587	0.839	34	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:H-1:H-1:	N(CC[3x6]O)(NHH)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	N(NCH)(H)2	N(CC[3x6]O)(NHH)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	N(NCH)(H)2	122.5088	0.815	4	122.5088	0.664	4	122.5088	0.664	4	122.4640	0.803	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	N(CC[6a]O)(NCH)(H)	117.6890	0.000	1	117.6890	0.000	1	119.0800	1.682	3	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC[6a]CH)(NHN)(O)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	C(CC[6a]CH)(NHN)(O)	N(CNS)(NCH)(H)	119.2950	0.000	1	119.2950	0.000	1	119.0800	1.682	3	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	N(CNS)(NCH)(H)	120.2560	0.000	1	120.2560	0.000	1	119.0800	1.682	3	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C[6]-4:N-3:O-1:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]O)(NCH)(H)	118.6000	0.000	1	118.6000	0.000	1	118.6000	0.000	1	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	N(C[6a]N[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	N(C[6a]N[6a]2)(NCH)(H)	119.8870	0.000	1	119.8870	0.000	1	120.8713	2.094	3	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	C(CCHN)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	C(CCHN)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	120.1940	0.000	1	120.1940	0.000	1	120.8713	2.094	3	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	122.5330	0.000	1	122.5330	0.000	1	120.8713	2.094	3	119.7791	2.331	7	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:3:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	P-4:N-3:H-1:	N(CCO)(NHP)(H)	C(CHHO)(NHN)(O)	N(POOS)(NCH)(H)	N(CCO)(NHP)(H)	C(CHHO)(NHN)(O)	N(POOS)(NCH)(H)	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	120.2510	2.740	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:3:1:	C-3:N-3:H-1:	C[5]-4:N-3:O-1:	C-4:N-3:H-1:	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5]H)(NHN)(O)	N(CCCH)(NCH)(H)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5]H)(NHN)(O)	N(CCCH)(NCH)(H)	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	120.2510	2.740	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:3:1:	N-3:C-3:H-1:	C-4:N-3:O-1:	C[6]-4:N-3:H-1:	N(NC[6]H)(CCO)(H)	C(CN[5a]HH)(NHN)(O)	N(C[6]C[5a]C[6]2)(NCH)(H)	N(NC[6]H)(CCO)(H)	C(CN[5a]HH)(NHN)(O)	N(C[6]C[5a]C[6]2)(NCH)(H)	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	120.2510	2.740	3	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:3:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-3:N-3:	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CCHH)(CNO)(NCH)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CCHH)(CNO)(NCH)	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	N(CCO)(NCC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	119.2200	0.000	1	119.2200	0.000	1	120.0770	0.753	38	120.0770	0.753	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	120.7340	0.000	1	120.7340	0.000	1	120.0770	0.753	38	120.0770	0.753	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CCHH)(CH3)(NCH)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CCHH)(CH3)(NCH)	121.0077	0.473	3	121.0077	0.224	3	120.0770	0.753	38	120.0770	0.753	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CCHH)2(NCH)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CCHH)2(NCH)	120.7283	0.977	4	120.7283	0.955	4	120.0770	0.753	38	120.0770	0.753	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	119.8927	0.816	26	119.8927	0.666	26	120.0770	0.753	38	120.0770	0.753	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:N-3:O-1:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	C(CHHO)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	N(CCO)(NCC)(H)	C(CHHO)(NHN)(O)	N(CC[6a]HH)(CCHH)(NCH)	119.9417	0.870	3	119.9417	0.757	3	120.0770	0.753	38	120.0770	0.753	38	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:N-3:	C-3:N-3:H-1:	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	N(CC[6a]O)(NCH)(H)	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	N(CC[6a]O)(NCH)(H)	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:H-1:	C-4:C-3:N-3:	C[6a]-3:C-4:N-3:	N(NC[6a]C)(CCC)(H)	C(CH3)(CCH)(NHN)	N(C[6a]C[6a]2)(CH3)(NCH)	N(NC[6a]C)(CCC)(H)	C(CH3)(CCH)(NHN)	N(C[6a]C[6a]2)(CH3)(NCH)	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:1:1:	3:3:1:	C[6a]-3:N-3:C-3:	N-3:H-1:O-1:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C(NC[6a]N)(H)(O)	N(C[6a]C[6a]2)(NC[6a]C)(H)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C(NC[6a]N)(H)(O)	N(C[6a]C[6a]2)(NC[6a]C)(H)	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCN)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCN)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	117.2412	0.079	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	117.3400	0.000	1	117.3400	0.000	1	117.1707	0.072	4	117.2412	0.079	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	117.2440	0.279	2	117.2440	0.078	2	117.1707	0.072	4	117.2412	0.079	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(COO)(H)	116.8550	0.000	1	116.8550	0.000	1	117.1707	0.072	4	117.2412	0.079	5	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:3:1:	3:4:3:	C-3:N-3:C-3:	C[6a]-3:N-3:O-1:	C[6a]-3:C-4:N-3:	N(CC[6a]O)(NC[6a]C)(CCC)	C(C[6a]C[6a]2)(NCN)(O)	N(C[6a]C[6a]2)(CH3)(NCC)	N(CC[6a]O)(NC[6a]C)(CCC)	C(C[6a]C[6a]2)(NCN)(O)	N(C[6a]C[6a]2)(CH3)(NCC)	118.4585	0.077	2	118.4585	0.006	2	118.4585	0.006	2	118.4585	0.006	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:N-3:	C-3:N-3:H-1:	N(CCN)(COO)(NCH)	C(CC[5a]H)(NCN)(NOO)	N(COO)(NCC)(H)	N(CCN)(COO)(NCH)	C(CC[5a]H)(NCN)(NOO)	N(COO)(NCC)(H)	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:3:3:	3:3:3:	3:4:3:	C-3:N-3:C-3:	C-3:C-3:N-3:	C[6a]-3:C-4:N-3:	N(CC[6a]O)(NC[6a]C)(CCC)	C(CCH)(COO)(NCN)	N(C[6a]C[6a]2)(CH3)(NCC)	N(CC[6a]O)(NC[6a]C)(CCC)	C(CCH)(COO)(NCN)	N(C[6a]C[6a]2)(CH3)(NCC)	115.1755	6.020	2	115.1755	36.236	2	115.1755	36.236	2	115.1755	36.236	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:4:3:	3:3:1:	4:4:3:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-4:C-4:N-3:	N(CC[6a]O)(CCCH)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]HH)2(NCC)	N(CC[6a]O)(CCCH)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]HH)2(NCC)	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	3:4:3:	4:3:1:	3:1:1:	C-3:C-4:N-3:	C[5]-4:N-3:O-1:	N-3:H-1:H-1:	N(CC[5]O)(CCCH)(NHH)	C(C[5]C[5]N[5]H)(NCN)(O)	N(NCC)(H)2	N(CC[5]O)(CCCH)(NHH)	C(C[5]C[5]N[5]H)(NCN)(O)	N(NCC)(H)2	116.4680	0.000	1	116.4680	0.000	1	116.4680	0.000	1	116.4680	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCCH)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCCH)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	120.9570	0.000	1	120.9570	0.000	1	120.4128	0.386	4	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCCN)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCCN)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	119.5240	0.000	1	119.5240	0.000	1	120.4128	0.386	4	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CCHH)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CCHH)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	120.5040	0.000	1	120.5040	0.000	1	120.4128	0.386	4	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	N(COO)(NCC)(H)	120.6660	0.000	1	120.6660	0.000	1	120.4128	0.386	4	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	N-3:S-2:S-1:	C-3:N-3:H-1:	N(CH3)(CSS)(NCH)	C(NCN)(SC)(S)	N(CC[6a]O)(NCC)(H)	N(CH3)(CSS)(NCH)	C(NCN)(SC)(S)	N(CC[6a]O)(NCC)(H)	118.8870	0.000	1	118.8870	0.000	1	118.8870	0.000	1	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[3,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	120.8740	0.000	1	120.8740	0.000	1	117.6716	3.489	5	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	116.7615	0.262	2	116.7615	0.069	2	117.6716	3.489	5	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]N[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]N[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	116.2660	0.000	1	116.2660	0.000	1	117.6716	3.489	5	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]O[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]O[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	117.6950	0.000	1	117.6950	0.000	1	117.6716	3.489	5	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:1:	P[4]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	N(NP[4]C)(COO)(H)	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	N(NP[4]C)(COO)(H)	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	118.7827	3.307	11	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:2:1:	3:3:3:	C-4:C-3:N-3:	N-3:O-2:O-1:	C-3:C-3:N-3:	N(CC[6a]C[6]C)(COO)(NCC)	C(NCN)(OC)(O)	N(CC[6a]O)(COO)(NCC)	N(CC[6a]C[6]C)(COO)(NCC)	C(NCN)(OC)(O)	N(CC[6a]O)(COO)(NCC)	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	N-3:N-3:S-1:	N-3:H-1:H-1:	N(CH3)(CNS)(NHH)	C(NCN)(NHH)(S)	N(NCC)(H)2	N(CH3)(CNS)(NHH)	C(NCN)(NHH)(S)	N(NCC)(H)2	116.7410	0.120	2	116.7410	0.014	2	116.7410	0.014	2	116.7410	0.014	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	N(CC[6a]CH)(CCH)(NCH)	C(CCH)(NCN)(H)	N(COO)(NCC)(H)	N(CC[6a]CH)(CCH)(NCH)	C(CCH)(NCN)(H)	N(COO)(NCC)(H)	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	3:3:1:	4:4:3:	C-4:C-3:N-3:	C[6a]-3:N-3:O-1:	C-4:C-4:N-3:	N(CC[6a]CH)(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CCHH)2(NCC)	N(CC[6a]CH)(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CCHH)2(NCC)	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	4:3:1:	3:1:1:	S-4:C-3:N-3:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(SC[6a]OO)(CCO)(NHH)	C(CCHH)(NNS)(O)	N(NCS)(H)2	N(SC[6a]OO)(CCO)(NHH)	C(CCHH)(NNS)(O)	N(NCS)(H)2	120.2265	0.441	2	120.2265	0.194	2	120.2265	0.194	2	120.2265	0.194	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:N-3:	C-4:N-3:O-1:	C-3:N-3:H-1:	N(CH3)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CC[6a]O)(NCC)(H)	N(CH3)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CC[6a]O)(NCC)(H)	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP2_SP2_SP3	N	C	N	4:3:3:	4:3:1:	4:3:1:	C-4:C-3:N-3:	C-4:N-3:O-1:	C-4:N-3:H-1:	N(CCHH)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CC[6a]HH)(NCC)(H)	N(CCHH)(CCO)(NCH)	C(CH3)(NCN)(O)	N(CC[6a]HH)(NCC)(H)	118.4585	0.353	2	118.4585	0.125	2	118.4585	0.125	2	118.4585	0.125	2	120.3424	4.786	548	120.3424	4.786	548
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(COO)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(COO)(NCH)(H)	119.7035	1.962	2	119.7035	3.850	2	119.7035	3.850	2	119.7035	3.850	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-3:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCN)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCN)(COO)(NCH)	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	117.5564	0.920	5	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	117.2820	0.000	1	117.2820	0.000	1	117.5542	1.226	4	117.5564	0.920	5	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	118.0095	1.668	2	118.0095	2.782	2	117.5542	1.226	4	117.5564	0.920	5	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	3:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	116.9160	0.000	1	116.9160	0.000	1	117.5542	1.226	4	117.5564	0.920	5	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	P-4:N-3:H-1:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PNOO)(NCH)(H)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	N(PNOO)(NCH)(H)	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(COO)(NCH)	116.7190	0.000	1	116.7190	0.000	1	118.4812	5.629	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCN)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCN)(COO)(NCH)	119.3840	0.000	1	119.3840	0.000	1	118.4812	5.629	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCHH)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCHH)(COO)(NCH)	119.1920	0.000	1	119.1920	0.000	1	118.4812	5.629	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CC)(COO)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CC)(COO)(NCH)	121.5620	0.000	1	121.5620	0.000	1	118.4812	5.629	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(CCH)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(CCH)(NCH)	115.5490	0.000	1	115.5490	0.000	1	118.4812	5.629	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	119.2460	0.000	1	119.2460	0.000	1	118.0162	1.121	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]2H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]2H)(COO)(NCH)	117.5415	1.020	2	117.5415	1.041	2	118.0162	1.121	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]N[5]C)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]N[5]C)(COO)(NCH)	117.0270	0.000	1	117.0270	0.000	1	118.0162	1.121	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]O[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5]O[5]H)(COO)(NCH)	118.7250	0.000	1	118.7250	0.000	1	118.0162	1.121	5	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:2:1:	4:3:3:	N-3:C-3:H-1:	N-3:O-2:O-1:	P[4]-4:C-3:N-3:	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	N(P[4]N[4]2N)(COO)(NCH)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	N(P[4]N[4]2N)(COO)(NCH)	115.9860	0.000	1	115.9860	0.000	1	115.9860	0.000	1	118.0430	3.219	11	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	N(NCH)(O)2	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	N(NCH)(O)2	127.1890	0.000	2	127.1890	0.000	2	127.1890	0.000	2	127.1890	0.000	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	118.8490	0.000	1	118.8490	0.000	1	118.8490	0.000	1	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)(H)	117.5440	0.000	1	117.5440	0.000	1	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCO)(NCH)(H)	118.6860	0.000	1	118.6860	0.000	1	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]O)(NCH)(H)	117.2130	0.000	1	117.2130	0.000	1	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]O)(NCH)(H)	119.4930	0.000	1	119.4930	0.000	1	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNN)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNN)(NCH)(H)	118.8250	0.000	1	118.8250	0.000	1	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNS)(NCH)(H)	118.3970	0.170	2	118.3970	0.029	2	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CPdN)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CPdN)(NCH)(H)	117.7700	0.000	1	117.7700	0.000	1	118.2906	0.561	8	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	117.9430	2.966	2	117.9430	8.795	2	117.9430	8.795	2	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	116.0270	1.666	3	116.0270	2.777	3	116.8408	2.695	5	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CNN)(NCH)(H)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CNN)(NCH)(H)	118.4210	0.000	1	118.4210	0.000	1	116.8408	2.695	5	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	117.7020	0.000	1	117.7020	0.000	1	116.8408	2.695	5	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NCC)(NHN)(S)	N(CC[6a]N)(NCH)(H)	N(CNS)(NCH)(H)	C(NCC)(NHN)(S)	N(CC[6a]N)(NCH)(H)	119.6800	0.000	1	119.6800	0.000	1	120.0365	1.298	6	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CCO)(NCH)(H)	121.5180	0.000	1	121.5180	0.000	1	120.0365	1.298	6	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CC[5a]O)(NCH)(H)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(CC[5a]O)(NCH)(H)	121.3870	0.000	1	121.3870	0.000	1	120.0365	1.298	6	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CCO)(NCH)(H)	119.3890	0.000	1	119.3890	0.000	1	120.0365	1.298	6	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	119.1225	0.504	2	119.1225	0.254	2	120.0365	1.298	6	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:H-1:	N(NC[6]H)(CNS)(H)	C(NHH)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)(H)	N(NC[6]H)(CNS)(H)	C(NHH)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)(H)	121.2090	0.000	1	121.2090	0.000	1	121.2090	0.000	1	118.5518	3.013	23	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CCO)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CCO)(NCH)	119.6300	0.000	1	119.6300	0.000	1	119.2915	0.229	2	119.2915	0.229	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CSS)(NCH)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CH3)(CSS)(NCH)	118.9530	0.000	1	118.9530	0.000	1	119.2915	0.229	2	119.2915	0.229	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:3:	3:2:1:	4:3:3:	C-3:C-3:N-3:	N-3:O-2:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(COO)(NCC)	C(NCN)(OC)(O)	N(CC[6a]C[6]C)(COO)(NCC)	N(CC[6a]O)(COO)(NCC)	C(NCN)(OC)(O)	N(CC[6a]C[6]C)(COO)(NCC)	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C[6a]-3:N-3:O-1:	C-4:C-3:N-3:	N(CC[6a]O)(COO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]C[6]C)(COO)(NCC)	N(CC[6a]O)(COO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]C[6]C)(COO)(NCC)	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:4:3:	3:2:1:	3:3:1:	N-3:C-4:C-3:	N-3:O-2:O-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCHO)(COO)	C(NCN)(OC)(O)	N(C[6a]C[6a]2)(NCC)(H)	N(NC[6a]H)(CCHO)(COO)	C(NCN)(OC)(O)	N(C[6a]C[6a]2)(NCC)(H)	121.4670	0.000	1	121.4670	0.000	1	121.4670	0.000	1	121.4670	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:N-3:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(CCCH)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(H)	N(CC[6a]O)(CCCH)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]O)(NCC)(H)	118.1815	0.418	2	118.1815	0.175	2	118.1815	0.175	2	118.1815	0.175	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[3x4]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[3x4]C[4,4]3)(COO)(NCH)	C(NC[3x4]N)(OC)(O)	N(NC[3x4]C)(COO)(H)	N(C[3x4]C[4,4]3)(COO)(NCH)	C(NC[3x4]N)(OC)(O)	N(NC[3x4]C)(COO)(H)	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.2230	0.027	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C-3:N-3:	N-3:O-2:O-1:	N-3:C-3:H-1:	N(C[5]C[5]2C)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	N(C[5]C[5]2C)(COO)(NCH)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)(H)	120.1070	0.000	1	120.1070	0.000	1	120.1070	0.000	1	120.2230	0.027	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CCHH)(CNO)(NCH)	C(NCH)(NCN)(O)	N(CCO)(NCC)(H)	N(CCHH)(CNO)(NCH)	C(NCH)(NCN)(O)	N(CCO)(NCC)(H)	115.9330	0.000	1	115.9330	0.000	1	116.2170	0.161	2	116.2170	0.161	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CH3)(CNO)(NCH)	C(NCH)(NCN)(O)	N(COO)(NCC)(H)	N(CH3)(CNO)(NCH)	C(NCH)(NCN)(O)	N(COO)(NCC)(H)	116.5010	0.000	1	116.5010	0.000	1	116.2170	0.161	2	116.2170	0.161	2	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP2	N	C	N	4:3:3:	3:3:3:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:N-3:	C-3:N-3:H-1:	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	N(COO)(NCC)(H)	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	N(COO)(NCC)(H)	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	118.5787	5.573	59	118.5787	5.573	59
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[5a]CC)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[5a]CC)(NCH)(H)	119.7220	0.000	1	119.7220	0.000	1	120.0007	0.282	3	120.0007	0.282	3	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:N-3:H-1:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(NCH)(H)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	N(CC[6a]CH)(NCH)(H)	120.1400	0.669	2	120.1400	0.447	2	120.0007	0.282	3	120.0007	0.282	3	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:2:1:	4:4:3:	C-3:N-3:H-1:	N-3:O-2:O-1:	C-4:C-4:N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(CCHH)(NCH)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	N(CCCH)(CCHH)(NCH)	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:H-1:H-1:	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(NCH)(H)2	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(NCH)(H)2	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNO)(NCH)(H)	119.0245	0.097	2	119.0245	0.009	2	119.0245	0.009	2	118.2818	1.105	6	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6a]C[6a]2)(NCH)(H)	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	118.2818	1.105	6	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	N(CC[6a]O)(NCH)(H)	117.6680	0.397	2	117.6680	0.158	2	117.6680	0.158	2	118.2818	1.105	6	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:N-3:S-1:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(NCH)(H)	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	118.2818	1.105	6	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	C-4:N-3:H-1:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC3)(NCH)(H)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC3)(NCH)(H)	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	123.4906	6.237	5	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	N-3:N-3:O-1:	C-4:N-3:H-1:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CCCH)(NCH)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CCCH)(NCH)(H)	125.1640	0.000	1	125.1640	0.000	1	125.1640	0.000	1	123.4906	6.237	5	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	N-3:N-3:S-1:	C-4:N-3:H-1:	N(CNS)(NCH)(H)	C(NCC)(NHN)(S)	N(CC[6a]CH)(NCH)(H)	N(CNS)(NCH)(H)	C(NCC)(NHN)(S)	N(CC[6a]CH)(NCH)(H)	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	123.4906	6.237	5	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:1:	4:3:1:	N-3:C-3:H-1:	N-3:N-3:S-1:	C[6]-4:N-3:H-1:	N(NC[6]H)(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6]2H)(NCH)(H)	N(NC[6]H)(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6]2H)(NCH)(H)	125.1620	1.752	2	125.1620	3.070	2	125.1620	3.070	2	123.4906	6.237	5	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(NCH)(H)2	117.6955	1.470	2	117.6955	2.161	2	117.3833	1.012	4	117.3833	1.012	4	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	N(CNN)(NHH)(H)	C(NHH)2(NHN)	N(NCH)(H)2	117.0710	0.696	2	117.0710	0.484	2	117.3833	1.012	4	117.3833	1.012	4	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	N-3:N-3:N-3:	C-4:N-3:H-1:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CHHN)(NCH)(H)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	N(CHHN)(NCH)(H)	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	N(NCH)(H)2	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	N(NCH)(H)2	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	119.2033	9.886	23	119.2033	9.886	23
956	930	956	0:SP3_SP2_SP3	N	C	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C-3:N-3:	C[6]-3:N-3:C-2:	N-3:H-1:H-1:	N(C[6]C[6]2)(CC[6]C)(NHH)	C(C[6]C[6]2)(NC[6]N)(CO)	N(NC[6]C)(H)2	N(C[6]C[6]2)(CC[6]C)(NHH)	C(C[6]C[6]2)(NC[6]N)(CO)	N(NC[6]C)(H)2	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	119.2033	9.886	23	119.2033	9.886	23
956	930	969	0:SP2_SP-NON_SP2	N	C	Ga	4:3:3:	3:3:2:	3:3:3:	C-4:Ga-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-3:	N(CCCH)(GaNN)(CNN)	C(NGaC)(NCC)(NC)	Ga(NCC)3	N(CCCH)(GaNN)(CNN)	C(NGaC)(NCC)(NC)	Ga(NCC)3	94.9835	0.515	2	94.9835	0.265	2	94.9835	0.265	2	94.9835	0.265	2	94.9835	0.265	2	94.9835	0.265	2
956	930	983	0:SP2_SP1_SP2	N	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	N-3:N-3:O-1:	N-3:N-1:	N(CNO)(CN)(H)	C(NC[6a]H)(NCH)(O)	C(NCH)(N)	N(CNO)(CN)(H)	C(NC[6a]H)(NCH)(O)	C(NCH)(N)	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	3:2:1:	4:3:1:	4:3:	C-3:C-2:H-1:	C-4:N-3:O-1:	C-4:N-3:	N(CCO)(CC)(H)	C(CCHN)(NCH)(O)	C(CHHS)(NCH)	N(CCO)(CC)(H)	C(CCHN)(NCH)(O)	C(CHHS)(NCH)	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C-3:C-2:	N-3:O-2:O-1:	N-3:C-2:	N(C[6a]C[6a]2)(COO)(CC)	C(NC[6a]C)(OC)(O)	C(NC[6a]C)(CC)	N(C[6a]C[6a]2)(COO)(CC)	C(NC[6a]C)(OC)(O)	C(NC[6a]C)(CC)	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	3:3:2:	3:3:1:	3:2:	C-3:C-3:C-2:	C[5a]-3:N-3:O-1:	N-3:C-2:	N(CC[5a]O)2(CC)	C(C[5a]C[5a]N[5a])(NCC)(O)	C(NCC)(CC)	N(CC[5a]O)2(CC)	C(C[5a]C[5a]N[5a])(NCC)(O)	C(NCC)(CC)	114.0115	0.938	2	114.0115	0.880	2	114.0115	0.880	2	114.0115	0.880	2	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N-3:C-3:	N-3:N-1:	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C(NC[6a]C)(N)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C(NC[6a]C)(N)	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	4:3:2:	3:1:1:	3:1:	P[6]-4:C-3:C-2:	N-3:H-1:H-1:	N-3:H-1:	N(P[6]N[6]2N)(CHH)(CH)	C(NP[6]C)(H)2	C(NP[6]C)(H)	N(P[6]N[6]2N)(CHH)(CH)	C(NP[6]C)(H)2	C(NP[6]C)(H)	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	4:3:2:	3:3:1:	3:1:	C-4:C-3:C-2:	C-3:N-3:H-1:	N-3:H-1:	N(CH3)(CCH)(CH)	C(CHN)(NCC)(H)	C(NCC)(H)	N(CH3)(CCH)(CH)	C(CHN)(NCC)(H)	C(NCC)(H)	98.5070	0.000	1	98.5070	0.000	1	98.5070	0.000	1	98.5070	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	983	0:SP2_SP1_SP2	N	C	C	4:3:2:	3:3:3:	3:3:	S-4:C-3:C-2:	N[5]-3:C-3:N-3:	C[6a]-3:N-3:	N(SC[6a]OO)(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]I)(NCS)	C(C[6a]C[6a]2)(NCS)	N(SC[6a]OO)(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]I)(NCS)	C(C[6a]C[6a]2)(NCS)	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	116.0694	51.814	9	116.0694	51.814	9
956	930	984	0:SP2_SP-NON_SP2	N	C	Ga	3:4:3:	3:3:1:	3:1:1:1:	C[6a]-3:Ga-4:C-3:	N-3:C-3:H-1:	N-3:Cl-1:Cl-1:Cl-1:	N(C[6a]C[6a]2)(GaCl3)(CCH)	C(NC[6a]Ga)(CHN)(H)	Ga(NC[6a]C)(Cl)3	N(C[6a]C[6a]2)(GaCl3)(CCH)	C(NC[6a]Ga)(CHN)(H)	Ga(NC[6a]C)(Cl)3	125.3845	0.880	2	125.3845	0.775	2	125.3845	0.775	2	125.3845	0.775	2	122.5480	22.864	7	122.5480	22.864	7
956	930	984	0:SP2_SP-NON_SP2	N	C	Ga	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:Ga-4:C-3:	N-3:C-3:H-1:	N-3:C-4:Cl-1:Cl-1:	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C(NC[6a]Ga)(CHN)(H)	Ga(NC[6a]C)(CH3)(Cl)2	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C(NC[6a]Ga)(CHN)(H)	Ga(NC[6a]C)(CH3)(Cl)2	128.2110	0.000	1	128.2110	0.000	1	128.2110	0.000	1	128.2110	0.000	1	122.5480	22.864	7	122.5480	22.864	7
956	930	984	0:SP2_SP-NON_SP2	N	C	Ga	3:4:3:	3:3:1:	3:4:4:1:	C[6a]-3:Ga-4:C-3:	N-3:C-3:H-1:	N-3:C-4:C-4:Cl-1:	N(C[6a]C[6a]2)(GaClCC)(CCH)	C(NC[6a]Ga)(CHN)(H)	Ga(NC[6a]C)(CH3)2(Cl)	N(C[6a]C[6a]2)(GaClCC)(CCH)	C(NC[6a]Ga)(CHN)(H)	Ga(NC[6a]C)(CH3)2(Cl)	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	122.5480	22.864	7	122.5480	22.864	7
956	930	984	0:SP2_SP-NON_SP2	N	C	Ga	3:4:3:	3:3:2:	3:3:3:2:	C[6a]-3:Ga-4:C-3:	C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:N-3:O-2:	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	122.5480	22.864	7	122.5480	22.864	7
956	930	984	0:SP2_SP-NON_SP2	N	C	Ga	3:4:3:	3:4:3:	3:3:1:1:	C[6a]-3:Ga-4:C-3:	N-3:C-4:C-3:	N-3:N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C(NC[6a]Ga)(CH3)(CCN)	Ga(NC[6a]C)2(Cl)2	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C(NC[6a]Ga)(CH3)(CCN)	Ga(NC[6a]C)2(Cl)2	117.4980	0.909	2	117.4980	0.827	2	117.4980	0.827	2	117.4980	0.827	2	122.5480	22.864	7	122.5480	22.864	7
956	930	990	0:SP2_SP2_SP2	N	C	As	3:2:3:	3:3:2:	3:1:	C[6a]-3:As-2:C-3:	N-3:N-3:N-2:	N-3:Cl-1:	N(C[6a]C[6a]2)(AsCl)(CNN)	C(NC[6a]As)(NC[6]2)(NC[6a])	As(NC[6a]C)(Cl)	N(C[6a]C[6a]2)(AsCl)(CNN)	C(NC[6a]As)(NC[6]2)(NC[6a])	As(NC[6a]C)(Cl)	97.1280	0.000	1	97.1280	0.000	1	97.1280	0.000	1	97.1280	0.000	1	97.0106	0.028	2	97.0106	0.028	2
956	930	990	0:SP2_SP2_SP2	N	C	As	3:2:3:	3:3:2:	3:3:	C[6a]-3:As-2:C-3:	N-3:N-3:N-2:	N[6]-3:N-3:	N(C[6a]C[6a]2)(AsN[6])(CNN)	C(NC[6a]As)(NC[6a]H)(NC[6a])	As(N[6]C[6]2)(NC[6a]C)	N(C[6a]C[6a]2)(AsN[6])(CNN)	C(NC[6a]As)(NC[6a]H)(NC[6a])	As(N[6]C[6]2)(NC[6a]C)	96.8932	0.000	1	96.8932	0.000	1	96.8932	0.000	1	96.8932	0.000	1	97.0106	0.028	2	97.0106	0.028	2
956	930	992	0:SP2_SP2_SP3	N	C	P	3:3:4:	3:3:2:	3:2:2:1:	C[6a]-3:C-3:P-4:	C[6a]-3:N-3:C-2:	N-3:O-2:O-2:O-1:	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	P(NC[6a]C)(OC)2(O)	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	P(NC[6a]C)(OC)2(O)	121.7510	0.000	3	121.7510	0.000	3	121.7510	0.000	3	121.7510	0.000	3	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	2:2:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-2:N-2:N-3:O-1:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6])2(NCH)(O)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6])2(NCH)(O)	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	122.9770	0.619	3	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	2:2:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	O-2:O-2:N-3:S-1:	N(CC[6a]O)(POOS)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(OC[6a])2(NCH)(S)	N(CC[6a]O)(POOS)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(OC[6a])2(NCH)(S)	122.9715	1.112	2	122.9715	1.237	2	122.9715	1.237	2	122.9770	0.619	3	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	3:2:2:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:O-2:O-2:O-1:	N(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NCH)(OC)2(O)	N(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NCH)(OC)2(O)	123.2610	0.000	1	123.2610	0.000	1	123.2610	0.000	1	123.2610	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	3:3:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:N-3:N-3:O-1:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NCC)2(NCH)(O)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NCC)2(NCH)(O)	127.1089	1.205	16	127.1089	1.452	16	126.3699	4.552	34	126.3699	4.552	34	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	3:3:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:N-3:N-3:O-1:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NCH)3(O)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NCH)3(O)	125.1392	1.536	10	125.1392	2.360	10	126.3699	4.552	34	126.3699	4.552	34	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	3:3:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:N-3:N-3:O-1:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6]C)2(NCH)(O)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6]C)2(NCH)(O)	128.2490	3.099	5	128.2490	9.604	5	126.3699	4.552	34	126.3699	4.552	34	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	3:3:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:N-3:N-3:O-1:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6]H)2(NCH)(O)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6]H)2(NCH)(O)	122.7380	0.000	1	122.7380	0.000	1	126.3699	4.552	34	126.3699	4.552	34	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	3:3:3:1:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:N-3:N-3:O-1:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6a]H)2(NCH)(O)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(NC[6a]H)2(NCH)(O)	123.7300	0.342	2	123.7300	0.117	2	126.3699	4.552	34	126.3699	4.552	34	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	4:4:3:1:	C-3:P-4:H-1:	N[5]-3:N-3:S-1:	C-4:C-4:N-3:S-1:	N(CN[5]S)(PCCS)(H)	C(N[5]C[5]2)(NHP)(S)	P(CCCH)2(NCH)(S)	N(CN[5]S)(PCCS)(H)	C(N[5]C[5]2)(NHP)(S)	P(CCCH)2(NCH)(S)	130.3840	0.000	1	130.3840	0.000	1	130.3840	0.000	1	127.0205	22.626	2	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:1:	3:3:1:	4:4:3:1:	C-3:P-4:H-1:	N[6]-3:N-3:O-1:	C-4:C-4:N-3:S-1:	N(CN[6]O)(PCCS)(H)	C(N[6]C[6]2)(NHP)(O)	P(CCCH)2(NCH)(S)	N(CN[6]O)(PCCS)(H)	C(N[6]C[6]2)(NHP)(O)	P(CCCH)2(NCH)(S)	123.6570	0.000	1	123.6570	0.000	1	123.6570	0.000	1	127.0205	22.626	2	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	3:4:3:	3:2:1:	3:3:3:3:	C[6a]-3:P-4:C-3:	N-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C(NC[6a]P)(OB)(O)	P(C[6a]C[6a]2)3(NC[6a]C)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C(NC[6a]P)(OB)(O)	P(C[6a]C[6a]2)3(NC[6a]C)	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	3:2:1:	3:2:2:1:	P-4:C-3:H-1:	N-3:O-2:O-1:	N-3:O-2:O-2:O-1:	N(PO3)(COO)(H)	C(NHP)(OC)(O)	P(NCH)(OC)2(O)	N(PO3)(COO)(H)	C(NHP)(OC)(O)	P(NCH)(OC)2(O)	128.3270	0.000	1	128.3270	0.000	1	128.3270	0.000	1	128.3270	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	3:3:1:	2:2:3:1:	P-4:C-3:H-1:	N-3:N-3:S-1:	O-2:O-2:N-3:O-1:	N(PO3)(CNS)(H)	C(NCH)(NHP)(S)	P(OC[6a])2(NCH)(O)	N(PO3)(CNS)(H)	C(NCH)(NHP)(S)	P(OC[6a])2(NCH)(O)	129.5335	1.033	2	129.5335	1.067	2	129.5335	1.067	2	129.5335	1.067	2	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	3:3:1:	3:2:2:1:	P-4:C-3:H-1:	N-3:N-3:S-1:	N-3:O-2:O-2:S-1:	N(POOS)(CNS)(H)	C(NCH)(NHP)(S)	P(NCH)(OC)2(S)	N(POOS)(CNS)(H)	C(NCH)(NHP)(S)	P(NCH)(OC)2(S)	129.5590	0.201	3	129.5590	0.040	3	129.2044	2.000	17	129.2044	2.000	17	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	3:3:1:	3:2:2:1:	P-4:C-3:H-1:	N-3:N-3:S-1:	N-3:O-2:O-2:S-1:	N(POOS)(CNS)(H)	C(NC[6a]H)(NHP)(S)	P(NCH)(OC)2(S)	N(POOS)(CNS)(H)	C(NC[6a]H)(NHP)(S)	P(NCH)(OC)2(S)	129.1284	1.556	14	129.1284	2.420	14	129.2044	2.000	17	129.2044	2.000	17	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	3:3:1:	3:3:3:1:	P-4:C-3:H-1:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(C[6a]C[6a]2)2(NCH)(O)	N(PC[6a]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(C[6a]C[6a]2)2(NCH)(O)	127.2220	0.000	1	127.2220	0.000	1	127.2220	0.000	1	127.1620	1.562	4	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	3:3:1:	3:3:3:1:	P-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N[6]-3:N[6]-3:N-3:O-1:	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(N[6]C[6]2)2(NCH)(O)	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	P(N[6]C[6]2)2(NCH)(O)	127.1420	1.530	3	127.1420	2.341	3	127.1420	2.341	3	127.1620	1.562	4	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:2:1:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:O-2:O-1:O-1:	N(PO3)(CCO)(H)	C(CCl3)(NHP)(O)	P(NCH)(OC)(O)2	N(PO3)(CCO)(H)	C(CCl3)(NHP)(O)	P(NCH)(OC)(O)2	123.3970	0.000	1	123.3970	0.000	1	123.3970	0.000	1	123.3970	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:2:2:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-2:N-2:O-1:	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	P(NCH)(NC)2(O)	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	P(NCH)(NC)2(O)	126.7820	0.000	1	126.7820	0.000	1	126.7820	0.000	1	125.6425	2.597	2	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:2:2:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:O-2:O-2:O-1:	N(PO3)(CCO)(H)	C(CCFF)(NHP)(O)	P(NCH)(OC)2(O)	N(PO3)(CCO)(H)	C(CCFF)(NHP)(O)	P(NCH)(OC)2(O)	124.5030	0.000	1	124.5030	0.000	1	124.5030	0.000	1	125.6425	2.597	2	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:1:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:O-1:O-1:	N(PNOO)(CCO)(H)	C(CF3)(NHP)(O)	P(NCC)(NCH)(O)2	N(PNOO)(CCO)(H)	C(CF3)(NHP)(O)	P(NCC)(NCH)(O)2	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	P(NCH)3(O)	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	P(NCH)3(O)	126.3090	0.000	1	126.3090	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NCC)2(NCH)(O)	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NCC)2(NCH)(O)	121.0300	0.000	1	121.0300	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NCH)3(O)	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NCH)3(O)	123.2500	0.000	1	123.2500	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NC[6a]C)2(NCH)(O)	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NC[6a]C)2(NCH)(O)	125.1075	0.238	2	125.1075	0.057	2	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NC[6a]H)2(NCH)(O)	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	P(NC[6a]H)2(NCH)(O)	123.1790	0.000	1	123.1790	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	P(NCC)2(NCH)(O)	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	P(NCC)2(NCH)(O)	127.0580	0.325	2	127.0580	0.106	2	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	P(NCH)3(O)	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	P(NCH)3(O)	122.7620	0.000	1	122.7620	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	P(NC[6a]H)2(NCH)(O)	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	P(NC[6a]H)2(NCH)(O)	123.4030	0.000	1	123.4030	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CClHH)(NHP)(O)	P(NCH)3(O)	N(PNNO)(CCO)(H)	C(CClHH)(NHP)(O)	P(NCH)3(O)	124.7230	0.000	1	124.7230	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	P(NCH)3(O)	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	P(NCH)3(O)	124.3150	0.000	1	124.3150	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	P(NC[6]C)2(NCH)(O)	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	P(NC[6]C)2(NCH)(O)	129.0940	0.000	1	129.0940	0.000	1	124.7997	4.738	13	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:N-3:O-1:	N[6]-3:N[6]-3:N-3:O-1:	N(PN[6]2O)(CCO)(H)	C(CCl2H)(NHP)(O)	P(N[6]C[6]2)2(NCH)(O)	N(PN[6]2O)(CCO)(H)	C(CCl2H)(NHP)(O)	P(N[6]C[6]2)2(NCH)(O)	125.5840	0.000	1	125.5840	0.000	1	125.5840	0.000	1	124.8557	4.417	14	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:4:3:	3:2:1:	3:3:3:1:	C-4:P-4:C-3:	N-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(COO)	C(NCP)(OC)(O)	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]CH)(PC[6a]2O)(COO)	C(NCP)(OC)(O)	P(C[6a]C[6a]2)2(NCC)(O)	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:4:3:	3:2:1:	3:4:2:1:	C[6]-4:P-4:C-3:	N-3:O-2:O-1:	N-3:C-4:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C(NC[6]P)(OC)(O)	P(NC[6]C)(CHHO)(OC)(O)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C(NC[6]P)(OC)(O)	P(NC[6]C)(CHHO)(OC)(O)	121.0570	3.801	2	121.0570	14.451	2	121.0570	14.451	2	121.0570	14.451	2	126.0825	9.309	90	126.0825	9.309	90
956	930	992	0:SP2_SP2_SP3	N	C	P	4:4:3:	3:2:1:	4:3:2:1:	C-4:P-4:C-3:	N-3:O-2:O-1:	C-4:N-3:O-2:O-1:	N(CC[6a]CH)(PCOO)(COO)	C(NCP)(OC)(O)	P(CHHO)(NCC)(OC)(O)	N(CC[6a]CH)(PCOO)(COO)	C(NCP)(OC)(O)	P(CHHO)(NCC)(OC)(O)	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	126.0825	9.309	90	126.0825	9.309	90
956	930	996	0:SP2_SP2_SP3	N	C	Si[4,5]	4:3:4:	3:3:2:	3:4:3:3:	Si[4,5]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	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)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	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)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	104.4110	0.000	1	104.4110	0.000	1	104.4110	0.000	1	104.4110	0.000	1	111.5155	100.948	2	104.6773	114.832	6
956	930	996	0:SP2_SP2_SP3	N	C	Si[4,5]	4:3:4:	3:3:2:	5:3:4:3:	Si[4,5]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	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)	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC)	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)	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC){1|H<1>,2|C<4>,8|C<3>}	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	111.5155	100.948	2	104.6773	114.832	6
956	930	996	0:SP2_SP2_SP3	N	C	Si[4]	4:3:4:	3:3:2:	2:2:4:3:	Si[4]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	O[4]-2:O[4]-2:C-4:N-3:	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](O[4]Si[4])2(CC3)(NCC)	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](O[4]Si[4])2(CC3)(NCC){1|C<4>,1|N<3>}	95.8175	0.000	1	95.8175	0.000	1	95.8175	0.000	1	95.8175	0.000	1	101.2582	110.976	4	104.6773	114.832	6
956	930	996	0:SP2_SP2_SP3	N	C	Si[4]	4:3:4:	3:3:2:	4:3:2:3:	Si[4]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	C[5]-4:C[4]-3:O[4]-2:N-3:	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC)	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC){1|N<3>,2|H<1>,3|C<4>}	96.4021	0.000	1	96.4021	0.000	1	96.4021	0.000	1	106.7280	213.250	2	101.2582	110.976	4	104.6773	114.832	6
956	930	996	0:SP2_SP2_SP3	N	C	Si[4]	4:3:4:	3:3:2:	4:3:2:3:	Si[4]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	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)	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	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)	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	106.7280	213.250	2	101.2582	110.976	4	104.6773	114.832	6
956	930	996	0:SP2_SP2_SP3	N	C	Si[4]	4:3:4:	3:3:2:	5:3:3:1:	Si[4]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	95.7593	0.000	1	95.7593	0.000	1	95.7593	0.000	1	95.7593	0.000	1	101.2582	110.976	4	104.6773	114.832	6
956	930	996	0:SP3_SP2_SP3	N	C	Si[4,5]	4:3:4:	3:3:2:	3:4:3:3:	Si[4,5]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	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)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	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)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	105.8380	0.000	1	105.8380	0.000	1	105.8380	0.000	1	105.8380	0.000	1	105.8380	0.000	1	107.1305	3.341	2
956	930	996	0:SP3_SP2_SP3	N	C	Si[4]	4:3:4:	3:3:2:	3:3:4:3:	Si[4]-4:C-3:C-4:	C[6a]-3:N-3:N-2:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](N[4]C[4]C)2(CCHH)(NCC)	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	Si[4](N[4]C[4]C)2(CCHH)(NCC){1|C<3>,1|C<4>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	107.1305	3.341	2
956	940	956	0:SP2_SP-NON_SP3	N	P	N	4:3:2:	3:2:	4:4:3:	Si-4:N-3:P-2:	N-3:P-2:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PP)	P(NSiN)(PN)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PP)	P(NSiN)(PN)	N(SiC3)2(NSiP)	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1
956	940	956	0:SP3_SP-NON_SP3	N	P	N	4:3:2:	2:3:	4:4:3:	Si-4:N-3:P-2:	N-2:N-3:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PN)	P(NC[6a])(NSiN)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PN)	P(NC[6a])(NSiN)	N(SiC3)2(NSiP)	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	116.6235	35.490	2	116.6235	35.490	2
956	940	956	0:SP3_SP-NON_SP3	N	P	N	4:3:2:	3:2:	4:4:3:	Si-4:N-3:P-2:	N-3:P-2:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PP)	P(NSiN)(PN)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PP)	P(NSiN)(PN)	N(SiC3)2(NSiP)	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	116.6235	35.490	2	116.6235	35.490	2
956	941	941	0:SP2_SP2_SP2	N	N	N	2:2:1:	3:3:	3:2:	N-2:N-2:O-1:	C-3:N-3:	N-3:O-2:	N(NC)(NO)(O)	N(CC[6]O)(NNO)	N(NNO)(OC)	N(NC)(NO)(O)	N(CC[6]O)(NNO)	N(NNO)(OC)	115.1050	0.000	1	115.1050	0.000	1	112.8093	3.973	3	112.8093	3.973	3	119.6378	90.411	5	119.6378	90.411	5
956	941	941	0:SP2_SP2_SP2	N	N	N	2:2:1:	3:3:	3:2:	N-2:N-2:O-1:	C-3:N-3:	N-3:O-2:	N(NC)(NO)(O)	N(CC[6a]N)(NNO)	N(NNO)(OC)	N(NC)(NO)(O)	N(CC[6a]N)(NNO)	N(NNO)(OC)	111.6615	0.200	2	111.6615	0.040	2	112.8093	3.973	3	112.8093	3.973	3	119.6378	90.411	5	119.6378	90.411	5
956	941	941	0:SP2_SP2_SP2	N	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(NC[6a]N)	N(CC[6a]N)(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(NC[6a]N)	N(CC[6a]N)(NC[6a]N)	129.8805	1.998	2	129.8805	3.990	2	129.8805	3.990	2	129.8805	3.990	2	119.6378	90.411	5	119.6378	90.411	5
956	941	945	0:SP2_SP2_SP3	N	N	P	3:3:2:	3:3:	3:3:3:	B-3:P-3:N-2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(BC[6a]2)(PC[6a]2)(NC)	N(CCH)(NBP)	P(C[6a]C[6a]2)2(NBN)	N(BC[6a]2)(PC[6a]2)(NC)	N(CCH)(NBP)	P(C[6a]C[6a]2)2(NBN)	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	113.9415	4.337	2	113.9415	4.337	2	113.9415	4.337	2
956	941	945	0:SP2_SP2_SP3	N	N	P	3:3:2:	3:3:	3:3:3:	B[5]-3:P-3:N-2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[5]O[5]2)(PC[6a]2)(NC)	N(CC[6a]2)(NB[5]P)	P(C[6a]C[6a]2)2(NB[5]N)	N(B[5]O[5]2)(PC[6a]2)(NC)	N(CC[6a]2)(NB[5]P)	P(C[6a]C[6a]2)2(NB[5]N)	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	113.9415	4.337	2	113.9415	4.337	2	113.9415	4.337	2
956	941	945	0:SP3_SP2_SP3	N	N	P	3:3:2:	3:3:	3:3:3:	B-3:P-3:N-2:	C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(BC[6a]2)(PC[6a]2)(NC[5])	N(C[5]C[5,6a]2)(NBP)	P(C[6a]C[6a]2)2(NBN)	N(BC[6a]2)(PC[6a]2)(NC[5])	N(C[5]C[5,6a]2)(NBP)	P(C[6a]C[6a]2)2(NBN)	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	113.9345	0.798	2	113.9345	0.798	2	113.9345	0.798	2
956	941	945	0:SP3_SP2_SP3	N	N	P	3:3:2:	3:3:	3:3:3:	B[5]-3:P-3:N-2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[5]O[5]2)(PC[6a]2)(NC)	N(CC[6a]2)(NB[5]P)	P(C[6a]C[6a]2)2(NB[5]N)	N(B[5]O[5]2)(PC[6a]2)(NC)	N(CC[6a]2)(NB[5]P)	P(C[6a]C[6a]2)2(NB[5]N)	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	113.9345	0.798	2	113.9345	0.798	2	113.9345	0.798	2
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CCC)(NHH)	H(NHN)	N(NC)(H)2	N(CCC)(NHH)	H(NHN)	111.9340	5.098	2	111.9340	25.992	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CCO)(NHH)	H(NHN)	N(NC)(H)2	N(CCO)(NHH)	H(NHN)	109.5820	1.546	2	109.5820	2.389	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CCS)(NHH)	H(NHN)	N(NC)(H)2	N(CCS)(NHH)	H(NHN)	110.4250	3.742	2	110.4250	14.003	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[5]2)(NHH)	H(NHN)	N(NC)(H)2	N(CC[5]2)(NHH)	H(NHN)	119.9810	0.034	2	119.9810	0.001	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[5]C)(NHH)	H(NHN)	N(NC)(H)2	N(CC[5]C)(NHH)	H(NHN)	111.1555	9.219	2	111.1555	84.982	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[5a]2)(NHH)	H(NHN)	N(NC)(H)2	N(CC[5a]2)(NHH)	H(NHN)	119.9765	0.008	2	119.9765	0.000	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[6a]C)(NHH)	H(NHN)	N(NC)(H)2	N(CC[6a]C)(NHH)	H(NHN)	117.1363	3.512	6	117.1363	12.336	6	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[6a]H)(NHH)	H(NHN)	N(NC)(H)2	N(CC[6a]H)(NHH)	H(NHN)	118.2812	5.733	12	118.2812	32.869	12	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[6a]O)(NHH)	H(NHN)	N(NC)(H)2	N(CC[6a]O)(NHH)	H(NHN)	107.4385	0.969	2	107.4385	0.940	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CNN)(NHH)	H(NHN)	N(NC)(H)2	N(CNN)(NHH)	H(NHN)	109.6838	2.187	4	109.6838	4.782	4	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CN[5a]N)(NHH)	H(NHN)	N(NC)(H)2	N(CN[5a]N)(NHH)	H(NHN)	110.8075	7.994	2	110.8075	63.902	2	114.8297	35.025	38	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(H)2	N(C[5]C[5,6a]C[5])(NHH)	H(NHN)	N(NC[5])(H)2	N(C[5]C[5,6a]C[5])(NHH)	H(NHN)	116.4638	2.198	8	116.4638	4.833	8	116.4638	4.833	8	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(H)2	N(C[6]C[6,6a]C[6])(NHH)	H(NHN)	N(NC[6])(H)2	N(C[6]C[6,6a]C[6])(NHH)	H(NHN)	108.8515	5.044	2	108.8515	25.440	2	108.8515	25.440	2	114.8529	30.808	48	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:2:1:	3:3:	3:	H-2:N-2:H-1:	C-3:N-3:	N-3:	N(HH)(NC)(H)	N(CC[6a]C)(NHH)	H(NHN)	N(HH)(NC)(H)	N(CC[6a]C)(NHH)	H(NHN)	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5,6]-3:N-3:	N-3:	N(NC[5,6])(CNO)(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	N(NC[5,6])(CNO)(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	126.8130	0.000	1	126.8130	0.000	1	121.8208	11.236	4	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5,6]-3:N-3:	N-3:	N(NC[5,6])(CNS)(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	N(NC[5,6])(CNS)(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	120.1567	0.490	3	120.1567	0.240	3	121.8208	11.236	4	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(CCO)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(NC[5])(CCO)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	120.7085	0.326	2	120.7085	0.106	2	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(CNO)(H)	N(C[5]C[5]2)(NCH)	H(NCN)	N(NC[5])(CNO)(H)	N(C[5]C[5]2)(NCH)	H(NCN)	123.5340	0.847	2	123.5340	0.718	2	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(NC[5])(CNS)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	119.8300	1.760	40	119.8300	3.098	40	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(CNS)(H)	N(C[5]C[5]2)(NCH)	H(NCN)	N(NC[5])(CNS)(H)	N(C[5]C[5]2)(NCH)	H(NCN)	123.5557	2.789	3	123.5557	7.777	3	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(COO)(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	N(NC[5])(COO)(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	119.3820	0.000	1	119.3820	0.000	1	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(COO)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(NC[5])(COO)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	120.2290	0.000	1	120.2290	0.000	1	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(CSS)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(NC[5])(CSS)(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	115.6790	0.000	1	115.6790	0.000	1	120.1528	4.494	50	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6,6]-3:N-3:	N-3:	N(NC[6,6])(CNO)(H)	N(C[6,6]C[3x6]C[6,6])(NCH)	H(NCN)	N(NC[6,6])(CNO)(H)	N(C[6,6]C[3x6]C[6,6])(NCH)	H(NCN)	120.5570	0.000	1	120.5570	0.000	1	120.3235	0.109	2	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6,6]-3:N-3:	N-3:	N(NC[6,6])(COO)(H)	N(C[6,6]C[6,6]2)(NCH)	H(NCN)	N(NC[6,6])(COO)(H)	N(C[6,6]C[6,6]2)(NCH)	H(NCN)	120.0900	0.000	1	120.0900	0.000	1	120.3235	0.109	2	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CCO)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(NC[6])(CCO)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	119.9262	3.009	4	119.9262	9.053	4	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CNO)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(NC[6])(CNO)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	121.2390	2.065	3	121.2390	4.263	3	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CNS)(H)	N(C[6]C[6,6]C[6])(NCH)	H(NCN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6]C[6])(NCH)	H(NCN)	120.0700	0.000	1	120.0700	0.000	1	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	122.5760	2.069	8	122.5760	4.282	8	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	122.2610	2.240	10	122.2610	5.019	10	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(COO)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(NC[6])(COO)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	120.7960	0.000	1	120.7960	0.000	1	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CSS)(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	N(NC[6])(CSS)(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	119.9090	0.000	1	119.9090	0.000	1	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CSS)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(NC[6])(CSS)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	120.9150	1.932	2	120.9150	3.732	2	121.6415	4.996	30	120.7537	5.242	86	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	2:4:1:	3:3:	3:	N-2:C-4:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(CHHP)(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	N(NC[5])(CHHP)(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	125.6835	0.695	2	125.6835	0.483	2	125.6835	0.483	2	125.6835	0.483	2	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	2:3:	3:	C-3:N-2:H-1:	C-2:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[6a])(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[6a])(NCH)	H(NCN)	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(CCH)(NH)(H)	N(NCH)(H)	H(NCN)	N(CCH)(NH)(H)	N(NCH)(H)	H(NCN)	124.0060	0.000	1	124.0060	0.000	1	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(CCO)(NH)(H)	N(NCH)(H)	H(NCN)	N(CCO)(NH)(H)	N(NCH)(H)	H(NCN)	116.6270	2.083	2	116.6270	4.339	2	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(CC[6]N)(NH)(H)	N(NCH)(H)	H(NCN)	N(CC[6]N)(NH)(H)	N(NCH)(H)	H(NCN)	120.7260	0.000	1	120.7260	0.000	1	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(CC[6a]O)(NH)(H)	N(NCH)(H)	H(NCN)	N(CC[6a]O)(NH)(H)	N(NCH)(H)	H(NCN)	116.8445	2.422	2	116.8445	5.865	2	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(CNN)(NH)(H)	N(NCH)(H)	H(NCN)	N(CNN)(NH)(H)	N(NCH)(H)	H(NCN)	118.5455	2.172	4	118.5455	4.719	4	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(CNS)(NH)(H)	N(NCH)(H)	H(NCN)	N(CNS)(NH)(H)	N(NCH)(H)	H(NCN)	116.4750	0.000	1	116.4750	0.000	1	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	N-3:H-1:	N-3:	N(COP)(NH)(H)	N(NCH)(H)	H(NCN)	N(COP)(NH)(H)	N(NCH)(H)	H(NCN)	118.7500	1.816	2	118.7500	3.297	2	118.4486	6.636	13	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:1:	3:	C[6]-3:N-2:H-1:	N-3:H-1:	N-3:	N(C[6]C[6,6a]N[6])(NH)(H)	N(NC[6]H)(H)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NH)(H)	N(NC[6]H)(H)	H(NC[6]N)	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	118.8529	8.413	14	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	N-3:N-2:	N-3:	N(C[5a]N[5a]S[5a])(NN)(H)	N(NC[5a]H)(NC[5a])	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NN)(H)	N(NC[5a]H)(NC[5a])	H(NC[5a]N)	125.0800	0.000	1	125.0800	0.000	1	125.0800	0.000	1	119.1505	5.795	21	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	N-3:N-2:	N-3:	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a])	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a])	H(NC[6a]N)	118.8541	2.039	20	118.8541	4.157	20	118.8541	4.157	20	119.1505	5.795	21	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	B-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(BC[6a]2)(NC[5])(H)	N(C[5]C[5,6a]2)(NBH)	H(NBN)	N(BC[6a]2)(NC[5])(H)	N(C[5]C[5,6a]2)(NBH)	H(NBN)	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCC)(NC)(H)	N(CNS)(NCH)	H(NCN)	N(CCC)(NC)(H)	N(CNS)(NCH)	H(NCN)	119.1790	0.000	1	119.1790	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCN)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CCN)(NC)(H)	N(CCC)(NCH)	H(NCN)	125.8650	0.000	1	125.8650	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCN)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CCN)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	120.8670	0.000	1	120.8670	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCN)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CCN)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	119.6470	0.000	1	119.6470	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCN)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CCN)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	120.0440	0.655	2	120.0440	0.429	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCN)(NC)(H)	N(CClC)(NCH)	H(NCN)	N(CCN)(NC)(H)	N(CClC)(NCH)	H(NCN)	125.6570	0.000	1	125.6570	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CCC)(NCH)	H(NCN)	122.7780	2.440	7	122.7780	5.953	7	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CCH)(NCH)	H(NCN)	120.6600	0.000	1	120.6600	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	118.8833	1.839	3	118.8833	3.381	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	123.5100	2.359	4	123.5100	5.567	4	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	119.7041	1.106	8	119.7041	1.223	8	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[5a]N)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[5a]N)(NCH)	H(NCN)	122.8150	0.000	1	122.8150	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[5a]O)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[5a]O)(NCH)	H(NCN)	116.2780	0.000	1	116.2780	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	118.4880	0.000	1	118.4880	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	116.4148	4.341	5	116.4148	18.843	5	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	122.0364	2.134	37	122.0364	4.555	37	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	119.6423	1.682	118	119.6423	2.830	118	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	119.1533	1.197	3	119.1533	1.433	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6a]O)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6a]O)(NCH)	H(NCN)	123.0500	2.004	2	123.0500	4.016	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[3]O)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CC[3]O)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	119.3430	0.000	1	119.3430	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[3x6]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CC[3x6]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	118.0735	1.269	2	118.0735	1.611	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CC[5]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	120.0400	0.331	2	120.0400	0.110	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	120.1644	1.304	5	120.1644	1.701	5	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	118.1390	0.000	1	118.1390	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	121.8270	3.517	3	121.8270	12.372	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	119.0760	4.022	9	119.0760	16.176	9	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	118.6787	0.602	3	118.6787	0.362	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	120.7720	0.000	1	120.7720	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	119.7243	2.190	6	119.7243	4.794	6	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	120.0351	1.307	56	120.0351	1.708	56	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[5a]O)(NC)(H)	N(CSS)(NCH)	H(NCN)	N(CC[5a]O)(NC)(H)	N(CSS)(NCH)	H(NCN)	119.2420	0.000	1	119.2420	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]C)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CC[6]C)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	126.1510	0.000	1	126.1510	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	121.2340	0.000	1	121.2340	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	120.5920	0.741	2	120.5920	0.549	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	119.6977	0.954	4	119.6977	0.909	4	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	122.9440	0.000	1	122.9440	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	120.2726	1.354	35	120.2726	1.834	35	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	118.3475	2.487	2	118.3475	6.185	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]C)(NC)(H)	N(CN[6]S)(NCH)	H(NCN)	N(CC[6a]C)(NC)(H)	N(CN[6]S)(NCH)	H(NCN)	117.2133	1.158	3	117.2133	1.342	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]C)(NC)(H)	N(CN[6]Se)(NCH)	H(NCN)	N(CC[6a]C)(NC)(H)	N(CN[6]Se)(NCH)	H(NCN)	114.9970	0.000	1	114.9970	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]N)(NC)(H)	N(CN[6]S)(NCH)	H(NCN)	N(CC[6a]N)(NC)(H)	N(CN[6]S)(NCH)	H(NCN)	119.4837	1.124	3	119.4837	1.264	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	120.5524	2.354	42	120.5524	5.540	42	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	119.6595	1.457	21	119.6595	2.124	21	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	120.0010	0.000	1	120.0010	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	121.9832	1.822	4	121.9832	3.321	4	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	119.8390	0.000	1	119.8390	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	119.6675	1.592	49	119.6675	2.534	49	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	121.7445	2.371	2	121.7445	5.621	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	120.1860	1.780	7	120.1860	3.167	7	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	120.0310	0.999	22	120.0310	0.998	22	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	121.5575	2.291	63	121.5575	5.250	63	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]C[6])(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C[6])(NCH)	H(NCN)	119.0800	0.000	1	119.0800	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	119.2878	2.178	710	119.2878	4.744	710	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	115.3890	2.667	3	115.3890	7.115	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CSS)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CSS)(NCH)	H(NCN)	120.4857	1.229	12	120.4857	1.509	12	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CHO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CHO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	120.2100	0.000	1	120.2100	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CHO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CHO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	121.2160	0.129	2	121.2160	0.017	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CHO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CHO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	122.2025	1.513	2	122.2025	2.288	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CCC)(NCH)	H(NCN)	121.3003	0.917	3	121.3003	0.841	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	120.6560	0.152	5	120.6560	0.023	5	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	121.8130	0.222	2	121.8130	0.049	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	121.2130	0.464	2	121.2130	0.215	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	119.0407	4.738	3	119.0407	22.450	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	120.7690	0.000	1	120.7690	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNN)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CNN)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	121.0895	1.353	38	121.0895	1.831	38	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CCC)(NCH)	H(NCN)	117.8775	6.121	6	117.8775	37.470	6	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CCH)(NCH)	H(NCN)	121.1055	1.464	2	121.1055	2.145	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[5]C)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[5]C)(NCH)	H(NCN)	121.1410	3.032	2	121.1410	9.193	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	120.0740	0.000	1	120.0740	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	120.4320	6.612	3	120.4320	43.712	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	120.6010	1.024	6	120.6010	1.049	6	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	121.5183	2.085	18	121.5183	4.348	18	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	123.0205	2.177	4	123.0205	4.741	4	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	121.1849	1.416	15	121.1849	2.006	15	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	120.6240	1.333	9	120.6240	1.776	9	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	122.6745	2.778	22	122.6745	7.720	22	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[6a]C[6])(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[6a]C[6])(NCH)	H(NCN)	120.9260	0.639	2	120.9260	0.409	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	120.6104	1.724	53	120.6104	2.973	53	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CCC)(NCH)	H(NCN)	122.4490	2.203	37	122.4490	4.852	37	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CCH)(NCH)	H(NCN)	120.4505	0.640	8	120.4505	0.410	8	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[4]C)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[4]C)(NCH)	H(NCN)	120.3500	0.000	1	120.3500	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5,6]H)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5,6]H)(NCH)	H(NCN)	117.7570	0.000	1	117.7570	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5]C)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5]C)(NCH)	H(NCN)	121.3721	1.289	9	121.3721	1.662	9	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5]H)(NCH)	H(NCN)	120.6450	1.893	5	120.6450	3.582	5	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	120.5587	2.705	11	120.5587	7.319	11	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	120.7883	1.082	3	120.7883	1.171	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	120.7525	1.623	18	120.7525	2.633	18	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	119.1242	6.520	6	119.1242	42.512	6	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6]H)(NCH)	H(NCN)	120.1437	0.388	7	120.1437	0.151	7	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	119.4211	2.851	7	119.4211	8.128	7	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	121.7712	2.137	71	121.7712	4.565	71	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]C[6])(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]C[6])(NCH)	H(NCN)	119.6070	0.839	3	119.6070	0.704	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	119.6967	1.607	193	119.6967	2.584	193	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	121.1740	0.000	1	121.1740	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]O)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]O)(NCH)	H(NCN)	119.6873	4.168	4	119.6873	17.376	4	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CHO)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CHO)(NCH)	H(NCN)	116.3620	0.000	1	116.3620	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CNS)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CNS)(NCH)	H(NCN)	113.7960	0.000	1	113.7960	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CN[6]S)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CN[6]S)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	118.1315	1.793	2	118.1315	3.213	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CCC)(NCH)	H(NCN)	121.7073	1.262	3	121.7073	1.594	3	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CCH)(NCH)	H(NCN)	120.1450	0.000	1	120.1450	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CCN)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CCN)(NCH)	H(NCN)	123.1140	0.000	1	123.1140	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CC[5]C)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CC[5]C)(NCH)	H(NCN)	119.4590	0.000	1	119.4590	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	120.6541	0.332	7	120.6541	0.110	7	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CC[6]C)(NCH)	H(NCN)	123.4770	0.000	1	123.4770	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	121.0880	1.377	8	121.0880	1.897	8	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	120.4975	0.686	43	120.4975	0.470	43	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CO[3x4]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CO[3x4]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	120.3800	0.000	1	120.3800	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CPdN)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CPdN)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	119.3760	0.000	1	119.3760	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CPdN)(NC)(H)	N(CPdN)(NCH)	H(NCN)	N(CPdN)(NC)(H)	N(CPdN)(NCH)	H(NCN)	114.7340	0.000	1	114.7340	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CCC)(NCH)	H(NCN)	122.0840	0.000	1	122.0840	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CCH)(NCH)	H(NCN)	119.1530	1.449	6	119.1530	2.099	6	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CC[5a]C)(NCH)	H(NCN)	122.1153	2.469	4	122.1153	6.097	4	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CC[5a]H)(NCH)	H(NCN)	121.7070	4.859	5	121.7070	23.606	5	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CC[6a]2)(NCH)	H(NCN)	119.7820	0.000	1	119.7820	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	122.1853	1.315	9	122.1853	1.728	9	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	119.8381	0.951	35	119.8381	0.904	35	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSS)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CSS)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	116.1030	0.000	1	116.1030	0.000	1	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CSeN)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CSeN)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	116.9510	4.835	2	116.9510	23.379	2	120.0433	5.046	2002	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5,6]-3:N-3:	N-3:	N(CC[5,6]O)(NC[5,6])(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	N(CC[5,6]O)(NC[5,6])(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	119.9077	0.926	8	119.9077	0.857	8	119.8343	0.691	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5,6]-3:N-3:	N-3:	N(CC[5a]O)(NC[5,6])(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	N(CC[5a]O)(NC[5,6])(H)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	H(NCN)	119.5405	0.045	2	119.5405	0.002	2	119.8343	0.691	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[5a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(CC[5a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	118.3840	0.000	1	118.3840	0.000	1	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6]C[5])(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6]C[5])(NCH)	H(NCN)	119.7627	2.624	8	119.7627	6.886	8	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	121.7330	0.000	1	121.7330	0.000	1	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	117.9309	3.064	12	117.9309	9.388	12	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]N[5])(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]N[5])(NCH)	H(NCN)	120.3480	0.000	1	120.3480	0.000	1	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5]2)(NCH)	H(NCN)	121.2320	0.000	1	121.2320	0.000	1	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]N[5]S[5])(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]N[5]S[5])(NCH)	H(NCN)	119.5780	0.573	2	119.5780	0.328	2	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]S[5]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]S[5]2)(NCH)	H(NCN)	120.5100	0.700	2	120.5100	0.490	2	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CN[5]S)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	N(CN[5]S)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NCH)	H(NCN)	119.3196	0.250	5	119.3196	0.062	5	119.1438	5.957	33	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:	N-3:	N(CC[6a]O)(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	H(NCN)	N(CC[6a]O)(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	H(NCN)	120.6120	0.000	1	120.6120	0.000	1	120.6120	0.000	1	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6,6]-3:N-3:	N-3:	N(CC[6a]O)(NC[6,6])(H)	N(C[6,6]C[3x6]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[6,6])(H)	N(C[6,6]C[3x6]2)(NCH)	H(NCN)	117.6450	0.000	1	117.6450	0.000	1	117.6450	0.000	1	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(CC[5a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(CC[5a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	H(NCN)	125.2757	5.701	3	125.2757	32.499	3	120.8495	11.774	17	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(CC[6a]O)(NC[6])(H)	N(C[6]C[5a,6]C[6])(NCH)	H(NCN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[5a,6]C[6])(NCH)	H(NCN)	120.3560	0.000	1	120.3560	0.000	1	120.8495	11.774	17	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	117.8570	0.000	2	117.8570	0.000	2	120.8495	11.774	17	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]N[6])(NCH)	H(NCN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]N[6])(NCH)	H(NCN)	116.1230	0.000	1	116.1230	0.000	1	120.8495	11.774	17	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]O[6])(NCH)	H(NCN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6,6a]O[6])(NCH)	H(NCN)	117.3940	0.000	1	117.3940	0.000	1	120.8495	11.774	17	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[6])(H)	N(C[6]C[6]2)(NCH)	H(NCN)	121.0030	1.223	9	121.0030	1.497	9	120.8495	11.774	17	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:N-3:	N-3:	N(CCO)(NN)(H)	N(NCC)(NCH)	H(NCN)	N(CCO)(NN)(H)	N(NCC)(NCH)	H(NCN)	128.1420	0.000	1	128.1420	0.000	1	128.1420	0.000	1	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]C[5,6a]C[5])(NC)(H)	N(CC[6a]O)(NC[5]H)	H(NC[5]N)	N(C[5]C[5,6a]C[5])(NC)(H)	N(CC[6a]O)(NC[5]H)	H(NC[5]N)	116.7560	0.000	1	116.7560	0.000	1	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]N[5]2)(NC)(H)	N(CC[5]H)(NC[5]H)	H(NC[5]N)	N(C[5]N[5]2)(NC)(H)	N(CC[5]H)(NC[5]H)	H(NC[5]N)	120.5083	0.656	3	120.5083	0.430	3	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]N[5]2)(NC)(H)	N(CC[6a]H)(NC[5]H)	H(NC[5]N)	N(C[5]N[5]2)(NC)(H)	N(CC[6a]H)(NC[5]H)	H(NC[5]N)	121.7500	0.000	1	121.7500	0.000	1	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]N[5]2)(NC)(H)	N(CC[6a]O)(NC[5]H)	H(NC[5]N)	N(C[5]N[5]2)(NC)(H)	N(CC[6a]O)(NC[5]H)	H(NC[5]N)	115.6910	0.000	1	115.6910	0.000	1	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]N[5]S[5])(NC)(H)	N(CC[5a]H)(NC[5]H)	H(NC[5]N)	N(C[5]N[5]S[5])(NC)(H)	N(CC[5a]H)(NC[5]H)	H(NC[5]N)	122.0320	0.000	1	122.0320	0.000	1	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C)(NC[5]H)	H(NC[5]N)	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C)(NC[5]H)	H(NC[5]N)	124.1445	5.004	2	124.1445	25.042	2	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C[5])(NC[5]H)	H(NC[5]N)	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C[5])(NC[5]H)	H(NC[5]N)	123.5040	0.000	1	123.5040	0.000	1	120.9547	11.164	10	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[5]C[5]N[5])(NC)(H)	N(NC[5]H)(CCC)	H(NC[5]N)	N(C[5]C[5]N[5])(NC)(H)	N(NC[5]H)(CCC)	H(NC[5]N)	119.9550	0.000	1	119.9550	0.000	1	122.5115	13.071	2	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[5]N[5]S[5])(NC)(H)	N(NC[5]H)(CCC)	H(NC[5]N)	N(C[5]N[5]S[5])(NC)(H)	N(NC[5]H)(CCC)	H(NC[5]N)	125.0680	0.000	1	125.0680	0.000	1	122.5115	13.071	2	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	N(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	119.6955	0.293	2	119.6955	0.086	2	121.2576	4.349	22	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]N[5a]2)(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]2)(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	120.4240	0.000	1	120.4240	0.000	1	121.2576	4.349	22	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]2)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]2)(NC[5a]H)	H(NC[5a]N)	119.6790	0.000	1	119.6790	0.000	1	121.2576	4.349	22	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	H(NC[5a]N)	124.1523	1.957	4	124.1523	3.831	4	121.2576	4.349	22	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	120.8261	1.654	14	120.8261	2.735	14	121.2576	4.349	22	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]2)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]2)(NC[5a]H)	H(NC[5a]N)	119.4040	0.000	1	119.4040	0.000	1	120.0168	0.716	4	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[5a]H)	H(NC[5a]N)	121.0400	0.000	1	121.0400	0.000	1	120.0168	0.716	4	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5]2)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC[5])(H)	N(C[5]C[5]2)(NC[5a]H)	H(NC[5a]N)	119.8115	0.801	2	119.8115	0.642	2	120.0168	0.716	4	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2)(NC[5a]H)	H(NC[5a]N)	N(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2)(NC[5a]H)	H(NC[5a]N)	118.3790	0.000	1	118.3790	0.000	1	122.1310	11.139	5	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[5a]N[5a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5a]H)	H(NC[5a]N)	119.9910	0.000	1	119.9910	0.000	1	122.1310	11.139	5	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5a]H)	H(NC[5a]N)	122.6405	1.278	2	122.6405	1.633	2	122.1310	11.139	5	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC[6])(H)	N(C[6]C[6]2)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC[6])(H)	N(C[6]C[6]2)(NC[5a]H)	H(NC[5a]N)	127.0040	0.000	1	127.0040	0.000	1	122.1310	11.139	5	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(NC)(H)	N(NC[5a]H)(CCC)	H(NC[5a]N)	N(C[5a]C[5a,6a]N[5a])(NC)(H)	N(NC[5a]H)(CCC)	H(NC[5a]N)	119.7730	0.000	1	119.7730	0.000	1	120.6287	1.882	3	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[5a]N[5a]2)(NC)(H)	N(NC[5a]H)(CC[5]H)	H(NC[5a]N)	N(C[5a]N[5a]2)(NC)(H)	N(NC[5a]H)(CC[5]H)	H(NC[5a]N)	121.0565	1.633	2	121.0565	2.666	2	120.6287	1.882	3	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6a]H)(NC[6]H)	H(NC[6]N)	N(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6a]H)(NC[6]H)	H(NC[6]N)	120.5868	0.673	6	120.5868	0.452	6	120.6081	0.327	8	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NC)(H)	N(CC[6a]H)(NC[6]H)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NC)(H)	N(CC[6a]H)(NC[6]H)	H(NC[6]N)	120.7570	0.000	1	120.7570	0.000	1	120.6081	0.327	8	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6]N[6]2)(NC)(H)	N(CC[6a]H)(NC[6]H)	H(NC[6]N)	N(C[6]N[6]2)(NC)(H)	N(CC[6a]H)(NC[6]H)	H(NC[6]N)	120.5870	0.000	1	120.5870	0.000	1	120.6081	0.327	8	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6]H)	H(NC[6]N)	N(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6]H)	H(NC[6]N)	128.8660	0.000	1	128.8660	0.000	1	128.8660	0.000	1	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6]C[6,6a]2)(NC)(H)	N(NC[6]H)(CCH)	H(NC[6]N)	N(C[6]C[6,6a]2)(NC)(H)	N(NC[6]H)(CCH)	H(NC[6]N)	118.0970	0.000	1	118.0970	0.000	1	120.5981	3.461	9	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6]C[6,6a]N[6])(NC)(H)	N(NC[6]H)(CCH)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NC)(H)	N(NC[6]H)(CCH)	H(NC[6]N)	118.7860	2.186	2	118.7860	4.780	2	120.5981	3.461	9	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6]C[6]2)(NC)(H)	N(NC[6]H)(CCC)	H(NC[6]N)	N(C[6]C[6]2)(NC)(H)	N(NC[6]H)(CCC)	H(NC[6]N)	123.1270	0.000	1	123.1270	0.000	1	120.5981	3.461	9	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6]N[6]2)(NC)(H)	N(NC[6]H)(CCH)	H(NC[6]N)	N(C[6]N[6]2)(NC)(H)	N(NC[6]H)(CCH)	H(NC[6]N)	121.3174	0.524	5	121.3174	0.275	5	120.5981	3.461	9	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[5a,6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	121.7280	0.000	1	121.7280	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]C)(NC[6a]H)	H(NC[6a]N)	120.9070	1.142	3	120.9070	1.305	3	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	120.8552	1.573	5	120.8552	2.474	5	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	119.7357	1.030	7	119.7357	1.061	7	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[3,5]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[3,5]H)(NC[6a]H)	H(NC[6a]N)	120.5220	0.000	1	120.5220	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]H)(NC[6a]H)	H(NC[6a]N)	120.0060	0.000	1	120.0060	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[5,6]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5,6]C)(NC[6a]H)	H(NC[6a]N)	123.5660	0.000	1	123.5660	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[5,6]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5,6]H)(NC[6a]H)	H(NC[6a]N)	120.9510	0.000	1	120.9510	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	H(NC[6a]N)	121.5387	2.650	9	121.5387	7.023	9	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	H(NC[6a]N)	120.4435	2.021	15	120.4435	4.084	15	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	H(NC[6a]N)	117.8460	1.755	2	117.8460	3.080	2	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	121.3157	2.963	82	121.3157	8.780	82	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	119.9370	1.579	116	119.9370	2.494	116	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	H(NC[6a]N)	116.1745	6.976	4	116.1745	48.663	4	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]S)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]S)(NC[6a]H)	H(NC[6a]N)	119.3070	0.045	2	119.3070	0.002	2	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CN[5a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CN[5a]C)(NC[6a]H)	H(NC[6a]N)	120.8025	0.090	2	120.8025	0.008	2	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[5a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[5a]H)(NC[6a]H)	H(NC[6a]N)	119.3760	0.000	1	119.3760	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	123.2367	3.068	3	123.2367	9.411	3	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	120.0008	1.679	28	120.0008	2.818	28	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]N)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]N)(NC[6a]H)	H(NC[6a]N)	121.6065	0.657	2	121.6065	0.432	2	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	123.1490	0.000	1	123.1490	0.000	1	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	120.6880	0.823	2	120.6880	0.677	2	120.4514	5.641	289	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,5]C[5,6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,5]C[5,6])(NC[6a]H)	H(NC[6a]N)	122.0490	0.000	1	122.0490	0.000	1	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,5]C[5])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,5]C[5])(NC[6a]H)	H(NC[6a]N)	119.6020	0.000	1	119.6020	0.000	1	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	H(NC[6a]N)	122.7820	0.000	1	122.7820	0.000	1	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NC[6a]H)	H(NC[6a]N)	119.2017	0.899	6	119.2017	0.807	6	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]O[5])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5,6a]O[5])(NC[6a]H)	H(NC[6a]N)	123.7550	0.000	1	123.7550	0.000	1	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	H(NC[6a]N)	121.0232	2.319	41	121.0232	5.379	41	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2)(NC[6a]H)	H(NC[6a]N)	120.1870	0.460	2	120.1870	0.211	2	120.8627	4.865	53	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(NC[6a]H)	H(NC[6a]N)	117.3550	0.000	1	117.3550	0.000	1	119.3110	2.921	3	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(NC[6a]H)	H(NC[6a]N)	120.2890	0.320	2	120.2890	0.102	2	119.3110	2.921	3	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	H(NC[6a]N)	114.0485	0.209	2	114.0485	0.044	2	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[3,6]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[3,6]C[6])(NC[6a]H)	H(NC[6a]N)	120.7000	0.000	1	120.7000	0.000	1	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[4,6]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[4,6]C[6])(NC[6a]H)	H(NC[6a]N)	120.0915	0.227	2	120.0915	0.052	2	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[5,6]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[5,6]C[6])(NC[6a]H)	H(NC[6a]N)	120.3350	0.000	1	120.3350	0.000	1	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6])(NC[6a]H)	H(NC[6a]N)	121.3323	2.459	4	121.3323	6.045	4	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]2)(NC[6a]H)	H(NC[6a]N)	116.8360	2.165	2	116.8360	4.688	2	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	H(NC[6a]N)	118.2295	3.381	45	118.2295	11.433	45	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(NC[6a]H)	H(NC[6a]N)	119.6476	2.751	38	119.6476	7.566	38	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]S[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]S[6])(NC[6a]H)	H(NC[6a]N)	121.0545	0.752	2	121.0545	0.565	2	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[6a]H)	H(NC[6a]N)	119.9727	0.610	7	119.9727	0.373	7	119.0113	9.259	104	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]N)	121.6328	2.450	9	121.6328	6.004	9	121.6328	6.004	9	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(NC[6a]H)(CC[5]C)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(NC[6a]H)(CC[5]C)	H(NC[6a]N)	118.2790	0.000	1	118.2790	0.000	1	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(NC[6a]H)(CC[6]C)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(NC[6a]H)(CC[6]C)	H(NC[6a]N)	119.3510	2.001	2	119.3510	4.004	2	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	120.0935	2.783	110	120.0935	7.743	110	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	H(NC[6a]N)	120.5637	1.633	27	120.5637	2.668	27	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCN)	H(NC[6a]N)	120.1317	1.397	3	120.1317	1.952	3	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCS)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCS)	H(NC[6a]N)	120.1533	1.964	7	120.1533	3.857	7	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[3]C)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[3]C)	H(NC[6a]N)	125.3950	0.000	1	125.3950	0.000	1	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[4]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[4]H)	H(NC[6a]N)	120.8110	0.000	1	120.8110	0.000	1	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]C)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]C)	H(NC[6a]N)	123.6282	4.403	4	123.6282	19.389	4	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]H)	H(NC[6a]N)	120.3680	0.451	4	120.3680	0.204	4	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]C)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]C)	H(NC[6a]N)	120.9168	1.482	5	120.9168	2.197	5	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	H(NC[6a]N)	120.1281	2.193	9	120.1281	4.809	9	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CClC)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CClC)	H(NC[6a]N)	121.0597	2.013	12	121.0597	4.051	12	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CHH)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CHH)	H(NC[6a]N)	119.3000	0.000	1	119.3000	0.000	1	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNN)	H(NC[6a]N)	118.4127	3.425	4	118.4127	11.733	4	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNS)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNS)	H(NC[6a]N)	119.8138	0.781	5	119.8138	0.610	5	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CN[6]C)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CN[6]C)	H(NC[6a]N)	117.9750	0.000	1	117.9750	0.000	1	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CSiH)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CSiH)	H(NC[6a]N)	121.1560	0.000	1	121.1560	0.000	1	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	121.2270	0.195	3	121.2270	0.038	3	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	120.4460	0.212	2	120.4460	0.045	2	120.2972	6.189	203	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NCC)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NCC)	H(NC[6a]N)	125.6460	0.000	1	125.6460	0.000	1	120.9227	6.281	6	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NCO)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NCO)	H(NC[6a]N)	118.2320	0.000	1	118.2320	0.000	1	120.9227	6.281	6	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a]O)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a]O)	H(NC[6a]N)	120.4145	0.523	4	120.4145	0.273	4	120.9227	6.281	6	120.1081	5.518	2797	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	2:3:	3:	S-4:N-2:H-1:	C-2:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6a])(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6a])(NHS)	H(NNS)	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	B-4:N-2:H-1:	C[6]-3:N-3:	N-3:	N(BC[5]HH)(NC[6])(H)	N(C[6]C[6]2)(NBH)	H(NBN)	N(BC[5]HH)(NC[6])(H)	N(C[6]C[6]2)(NBH)	H(NBN)	115.3490	0.000	1	115.3490	0.000	1	111.6997	22.963	3	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	B-4:N-2:H-1:	C[6]-3:N-3:	N-3:	N(BC[5]HN)(NC[6])(H)	N(C[6]C[6]2)(NBH)	H(NBN)	N(BC[5]HN)(NC[6])(H)	N(C[6]C[6]2)(NBH)	H(NBN)	109.8750	5.094	2	109.8750	25.949	2	111.6997	22.963	3	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	N-3:	N(CCCH)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CCCH)(NC)(H)	N(CCC)(NCH)	H(NCN)	109.2230	0.000	1	109.2230	0.000	1	114.7330	60.720	2	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]HH)(NC)(H)	N(CBrC)(NCH)	H(NCN)	N(CC[6a]HH)(NC)(H)	N(CBrC)(NCH)	H(NCN)	120.2430	0.000	1	120.2430	0.000	1	114.7330	60.720	2	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C[5a]-3:N-3:	N-3:	N(CC[6a]CH)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(NCH)	H(NCN)	N(CC[6a]CH)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(NCH)	H(NCN)	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	C-3:N-3:	N-3:	N(C[6]C[6]2Fe)(NC)(H)	N(CC[5]H)(NC[6]H)	H(NC[6]N)	N(C[6]C[6]2Fe)(NC)(H)	N(CC[5]H)(NC[6]H)	H(NC[6]N)	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	N-3:C-3:	N-3:	N(C[6]C[6]2H)(NC)(H)	N(NC[6]H)(CCC)	H(NC[6]N)	N(C[6]C[6]2H)(NC)(H)	N(NC[6]H)(CCC)	H(NC[6]N)	120.6600	0.000	1	120.6600	0.000	1	120.6600	0.000	1	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	P-4:N-2:H-1:	C-3:N-3:	N-3:	N(PC3)(NC)(H)	N(CCH)(NHP)	H(NNP)	N(PC3)(NC)(H)	N(CCH)(NHP)	H(NNP)	122.1810	0.000	1	122.1810	0.000	1	119.6683	4.489	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	P-4:N-2:H-1:	C-3:N-3:	N-3:	N(PCCS)(NC)(H)	N(CCC)(NHP)	H(NNP)	N(PCCS)(NC)(H)	N(CCC)(NHP)	H(NNP)	121.1460	0.000	1	121.1460	0.000	1	119.6683	4.489	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	P-4:N-2:H-1:	C-3:N-3:	N-3:	N(PCCS)(NC)(H)	N(CC[6a]C)(NHP)	H(NNP)	N(PCCS)(NC)(H)	N(CC[6a]C)(NHP)	H(NNP)	119.9555	1.216	2	119.9555	1.477	2	119.6683	4.489	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	P-4:N-2:H-1:	C-3:N-3:	N-3:	N(PC[6]3)(NC)(H)	N(CC[6a]H)(NHP)	H(NNP)	N(PC[6]3)(NC)(H)	N(CC[6a]H)(NHP)	H(NNP)	118.3580	0.000	1	118.3580	0.000	1	119.6683	4.489	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	P-4:N-2:H-1:	C-3:N-3:	N-3:	N(PC[6]Fe2)(NC)(H)	N(CHH)(NHP)	H(NNP)	N(PC[6]Fe2)(NC)(H)	N(CHH)(NHP)	H(NNP)	116.4140	0.000	1	116.4140	0.000	1	119.6683	4.489	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	P[6]-4:N-2:H-1:	C-3:N-3:	N-3:	N(P[6]O[6]2O)(NC)(H)	N(CC[6a]H)(NP[6]H)	H(NP[6]N)	N(P[6]O[6]2O)(NC)(H)	N(CC[6a]H)(NP[6]H)	H(NP[6]N)	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[5]OO)(NC)(H)	N(CCC)(NHS)	H(NNS)	N(SC[5]OO)(NC)(H)	N(CCC)(NHS)	H(NNS)	112.2590	0.000	1	112.2590	0.000	1	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	112.4270	0.000	1	112.4270	0.000	1	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	H(NNS)	119.5980	4.628	7	119.5980	21.419	7	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	H(NNS)	122.4720	0.912	3	122.4720	0.831	3	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	H(NNS)	113.5780	0.045	2	113.5780	0.002	2	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[4]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[4]C)(NHS)	H(NNS)	123.5325	0.049	2	123.5325	0.002	2	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5,5,6]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5,5,6]H)(NHS)	H(NNS)	119.4140	0.000	1	119.4140	0.000	1	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5,6]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5,6]H)(NHS)	H(NNS)	117.2755	2.389	2	117.2755	5.709	2	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	H(NNS)	117.7480	6.061	2	117.7480	36.740	2	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	118.0720	0.000	1	118.0720	0.000	1	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	H(NNS)	118.2165	1.186	2	118.2165	1.406	2	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	H(NNS)	123.3670	0.000	1	123.3670	0.000	1	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	H(NNS)	119.7168	5.797	9	119.7168	33.601	9	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	H(NNS)	118.3616	5.077	15	118.3616	25.780	15	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	H(NNS)	121.2480	0.000	1	121.2480	0.000	1	118.8993	21.973	50	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[5]-3:N-3:	N-3:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]2)(NHS)	H(NNS)	116.2460	0.000	1	116.2460	0.000	1	113.2823	63.714	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[5]-3:N-3:	N-3:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	H(NNS)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	H(NNS)	125.5500	0.000	1	125.5500	0.000	1	113.2823	63.714	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[5]-3:N-3:	N-3:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5]2)(NHS)	H(NNS)	112.8545	7.454	2	112.8545	55.556	2	113.2823	63.714	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[5]-3:N-3:	N-3:	N(SC[6a]OO)(NC[5])(H)	N(C[5]N[5]S[5])(NHS)	H(NNS)	N(SC[6a]OO)(NC[5])(H)	N(C[5]N[5]S[5])(NHS)	H(NNS)	106.0945	0.196	2	106.0945	0.038	2	113.2823	63.714	6	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[6]-3:N-3:	N-3:	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	H(NNS)	121.7740	5.961	4	121.7740	35.532	4	121.7740	35.532	4	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	Si-4:N-2:H-1:	C-3:N-3:	N-3:	N(SiC3)(NC)(H)	N(CC[6a]H)(NSiH)	H(NSiN)	N(SiC3)(NC)(H)	N(CC[6a]H)(NSiH)	H(NSiN)	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	118.3240	27.047	76	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP2_SP-NON_SP2	N	N	H	5:2:1:	3:3:	3:	Si[4]-5:N-2:H-1:	C-3:N-3:	N-3:	N(Si[4]N[4]2ClH)(NC)(H)	N(CC[6a]2)(NSi[4]H)	H(NSi[4]N)	N(Si[4]N[4]2ClH)(NC)(H)	N(CC[6a]2)(NSi[4]H)	H(NSi[4]N)	118.0350	0.000	1	118.0350	0.000	1	118.0350	0.000	1	118.0350	0.000	1	119.9912	6.976	3048	119.9912	6.976	3048
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:1:	3:	N-2:H-1:H-1:	N-3:H-1:	N-3:	N(NH)(H)2	N(NHH)(H)	H(NHN)	N(NH)(H)2	N(NHH)(H)	H(NHN)	108.9817	8.523	6	108.9817	72.649	6	108.9817	72.649	6	108.9817	72.649	6	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CCC)(NHH)	H(NHN)	N(NC)(H)2	N(CCC)(NHH)	H(NHN)	116.4300	4.088	2	116.4300	16.716	2	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CCN)(NHH)	H(NHN)	N(NC)(H)2	N(CCN)(NHH)	H(NHN)	106.0625	2.740	2	106.0625	7.508	2	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[5]C)(NHH)	H(NHN)	N(NC)(H)2	N(CC[5]C)(NHH)	H(NHN)	104.7460	14.841	6	104.7460	220.269	6	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[5a]N)(NHH)	H(NHN)	N(NC)(H)2	N(CC[5a]N)(NHH)	H(NHN)	109.5390	0.129	2	109.5390	0.017	2	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[6a]C)(NHH)	H(NHN)	N(NC)(H)2	N(CC[6a]C)(NHH)	H(NHN)	112.4456	3.874	17	112.4456	15.004	17	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[6a]H)(NHH)	H(NHN)	N(NC)(H)2	N(CC[6a]H)(NHH)	H(NHN)	110.4843	1.471	8	110.4843	2.164	8	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CC[6a]N)(NHH)	H(NHN)	N(NC)(H)2	N(CC[6a]N)(NHH)	H(NHN)	109.5645	3.502	4	109.5645	12.263	4	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	N-3:	N(NC)(H)2	N(CNN)(NHH)	H(NHN)	N(NC)(H)2	N(CNN)(NHH)	H(NHN)	107.0300	1.691	4	107.0300	2.858	4	110.0970	41.934	45	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C[5]-3:N-3:	N-3:	N(NC[5])(H)2	N(C[5]N[5]S[5])(NHH)	H(NHN)	N(NC[5])(H)2	N(C[5]N[5]S[5])(NHH)	H(NHN)	107.4550	1.779	2	107.4550	3.165	2	107.4550	3.165	2	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C[6,6]-3:N-3:	N-3:	N(NC[6,6])(H)2	N(C[6,6]C[3x6]C[6,6])(NHH)	H(NHN)	N(NC[6,6])(H)2	N(C[6,6]C[3x6]C[6,6])(NHH)	H(NHN)	112.2320	4.035	2	112.2320	16.279	2	112.2320	16.279	2	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(H)2	N(C[6]C[6,6a]C[6])(NHH)	H(NHN)	N(NC[6])(H)2	N(C[6]C[6,6a]C[6])(NHH)	H(NHN)	113.3250	6.848	2	113.3250	46.890	2	113.3250	46.890	2	110.2037	39.095	51	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	N(NC[6])(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)	H(NCN)	121.5700	0.000	1	121.5700	0.000	1	121.0965	0.236	4	121.0965	0.236	4	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:N-3:	N-3:	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	N(NC[6])(CNS)(H)	N(C[6]C[6]2)(NCH)	H(NCN)	120.9387	0.453	3	120.9387	0.205	3	121.0965	0.236	4	121.0965	0.236	4	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	N-3:N-2:	N-3:	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a])	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a])	H(NC[6a]N)	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	115.4050	0.000	1	115.4050	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6]O)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	N(CC[6]O)(NC)(H)	N(CC[6a]N)(NCH)	H(NCN)	122.3160	0.000	1	122.3160	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	H(NCN)	119.5295	2.006	2	119.5295	4.024	2	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	H(NCN)	107.6180	0.000	1	107.6180	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[5a]2)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[5a]2)(NCH)	H(NCN)	119.1480	2.011	2	119.1480	4.044	2	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	120.3716	2.954	5	120.3716	8.724	5	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	118.3028	3.450	5	118.3028	11.902	5	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CC[6a]O)(NC)(H)	N(CNS)(NCH)	H(NCN)	N(CC[6a]O)(NC)(H)	N(CNS)(NCH)	H(NCN)	118.8970	0.000	1	118.8970	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNO)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	N(CNO)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	116.9650	0.000	1	116.9650	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CCC)(NCH)	H(NCN)	119.8957	1.690	3	119.8957	2.856	3	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[5a]C[6a])(NCH)	H(NCN)	117.6490	1.500	2	117.6490	2.251	2	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	120.3965	0.141	2	120.3965	0.020	2	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	H(NCN)	116.8855	0.746	2	116.8855	0.557	2	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CCC)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CCC)(NCH)	H(NCN)	120.8580	0.000	1	120.8580	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	N-3:	N(COO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	N(COO)(NC)(H)	N(CC[6a]C)(NCH)	H(NCN)	117.7280	0.000	1	117.7280	0.000	1	118.6688	9.995	30	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]C[5,6a]2)(NCH)	H(NCN)	120.0040	0.000	1	120.0040	0.000	1	117.8763	3.616	3	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5]-3:N-3:	N-3:	N(CC[6a]O)(NC[5])(H)	N(C[5]S[5]2)(NCH)	H(NCN)	N(CC[6a]O)(NC[5])(H)	N(C[5]S[5]2)(NCH)	H(NCN)	116.8125	0.664	2	116.8125	0.441	2	117.8763	3.616	3	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:	N-3:	N(CC[6a]O)(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	H(NCN)	N(CC[6a]O)(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	H(NCN)	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C[6]-3:N-3:	N-3:	N(C[5]N[5]S[5])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5]H)	H(NC[5]N)	N(C[5]N[5]S[5])(NC[6])(H)	N(C[6]C[6,6a]C[6])(NC[5]H)	H(NC[5]N)	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	H(NC[5a]N)	122.3920	2.508	3	122.3920	6.292	3	121.1688	6.010	5	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	H(NC[5a]N)	119.3340	0.482	2	119.3340	0.233	2	121.1688	6.010	5	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	H(NC[6a]N)	115.7405	0.743	2	115.7405	0.552	2	117.2629	29.130	8	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	H(NC[6a]N)	116.2530	0.000	1	116.2530	0.000	1	117.2629	29.130	8	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	121.4135	4.054	2	121.4135	16.434	2	117.2629	29.130	8	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	H(NC[6a]N)	106.4620	0.000	1	106.4620	0.000	1	117.2629	29.130	8	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	H(NC[6a]N)	118.4570	0.000	1	118.4570	0.000	1	117.2629	29.130	8	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	H(NC[6a]N)	122.6230	0.000	1	122.6230	0.000	1	117.2629	29.130	8	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]N)	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	H(NC[6a]N)	118.5920	0.824	2	118.5920	0.680	2	116.8297	9.657	3	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N-3:C-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	H(NC[6a]N)	113.3050	0.000	1	113.3050	0.000	1	116.8297	9.657	3	118.3644	13.123	52	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	N-3:	N(C[5]C[5]P[5]H)(NC)(H)	N(CC[6a]H)(NC[5]H)	H(NC[5]N)	N(C[5]C[5]P[5]H)(NC)(H)	N(CC[6a]H)(NC[5]H)	H(NC[5]N)	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	114.0635	3.422	2	114.0635	11.708	2	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	H(NNS)	121.6020	0.525	2	121.6020	0.275	2	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	H(NNS)	116.4670	1.250	2	116.4670	1.563	2	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	H(NNS)	113.2390	0.133	2	113.2390	0.018	2	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[3]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[3]H)(NHS)	H(NNS)	114.9590	0.000	1	114.9590	0.000	1	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	H(NNS)	114.4320	0.000	1	114.4320	0.000	1	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5]C)(NHS)	H(NNS)	111.9020	2.319	2	111.9020	5.379	2	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	H(NNS)	116.4383	1.088	3	116.4383	1.184	3	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	H(NNS)	115.3370	1.107	3	115.3370	1.225	3	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6]C)(NHS)	H(NNS)	112.3810	0.000	1	112.3810	0.000	1	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	H(NNS)	114.9790	0.000	1	114.9790	0.000	1	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6a]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6a]2)(NHS)	H(NNS)	118.0555	1.079	11	118.0555	1.164	11	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	H(NNS)	116.6215	4.296	12	116.6215	18.453	12	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	H(NNS)	117.3078	2.509	19	117.3078	6.296	19	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C-3:N-3:	N-3:	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	H(NNS)	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	H(NNS)	117.4350	0.000	1	117.4350	0.000	1	116.6822	8.825	63	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[5]-3:N-3:	N-3:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	H(NNS)	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	H(NNS)	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[5a]-3:N-3:	N-3:	N(SC[6a]OO)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(NHS)	H(NNS)	N(SC[6a]OO)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(NHS)	H(NNS)	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[6]-3:N-3:	N-3:	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[3,6]C[6])(NHS)	H(NNS)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[3,6]C[6])(NHS)	H(NNS)	116.4500	0.000	1	116.4500	0.000	1	118.8055	11.097	2	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182
956	941	951	0:SP3_SP-NON_SP2	N	N	H	4:2:1:	3:3:	3:	S-4:N-2:H-1:	C[6]-3:N-3:	N-3:	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6,6]2)(NHS)	H(NNS)	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6,6]2)(NHS)	H(NNS)	121.1610	0.000	1	121.1610	0.000	1	118.8055	11.097	2	116.6022	9.275	68	115.1548	32.640	182	115.1548	32.640	182