956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	2:3:	3:3:1:1:	S-4:N-2:H-1:	C-2:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	112.8023	1.063	7	112.8023	1.130	7	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	114.7850	0.000	1	114.7850	0.000	1	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.2635	2.590	2	115.2635	6.709	2	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.3055	0.337	2	111.3055	0.114	2	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[4]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[4]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	112.8575	0.159	2	112.8575	0.025	2	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5,5,6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5,5,6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.9100	0.000	1	115.9100	0.000	1	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5,6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5,6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	114.6865	0.938	2	114.6865	0.880	2	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.3655	0.194	2	113.3655	0.038	2	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.6910	0.000	1	115.6910	0.000	1	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.3765	0.602	2	111.3765	0.362	2	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.2540	0.000	1	113.2540	0.000	1	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.1619	1.937	9	113.1619	3.751	9	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	114.8217	1.641	15	114.8217	2.692	15	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.9530	0.000	1	113.9530	0.000	1	113.7855	3.200	48	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	114.0690	0.000	1	114.0690	0.000	1	113.1380	2.072	6	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	114.9540	0.000	1	114.9540	0.000	1	113.1380	2.072	6	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.9440	1.564	2	111.9440	2.446	2	113.1380	2.072	6	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	N(C[5]N[5]S[5])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	N(C[5]N[5]S[5])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	112.9585	0.911	2	112.9585	0.831	2	113.1380	2.072	6	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[6]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.5365	1.890	4	113.5365	3.573	4	113.5365	3.573	4	113.7013	3.050	58	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	4:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(NC)(H)	N(CCC)(NHS)	S(C[5]C[5]2Fe)(NHN)(O)2	N(SC[5]OO)(NC)(H)	N(CCC)(NHS)	S(C[5]C[5]2Fe)(NHN)(O)2	114.2430	0.000	1	114.2430	0.000	1	114.3320	0.016	2	114.3320	0.016	2	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:2:1:	3:3:	4:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[5]C[5]2Fe)(NHN)(O)2	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[5]C[5]2Fe)(NHN)(O)2	114.4210	0.000	1	114.4210	0.000	1	114.3320	0.016	2	114.3320	0.016	2	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:3:2:	3:1:	3:3:1:1:	S-4:C-3:N-2:	N-3:H-1:	C[6]-3:N-3:O-1:O-1:	N(SC[6]OO)(CC[6a]O)(NH)	N(NCS)(H)	S(C[6]C[6]2)(NCN)(O)2	N(SC[6]OO)(CC[6a]O)(NH)	N(NCS)(H)	S(C[6]C[6]2)(NCN)(O)2	117.5790	0.000	1	117.5790	0.000	1	117.5790	0.000	1	117.5790	0.000	1	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:3:2:	3:3:	3:3:1:1:	S-4:C-3:N-2:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(NC)	N(CC[5]C)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	N(SC[6a]OO)(CCO)(NC)	N(CC[5]C)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:4:2:	3:1:	3:3:1:1:	S-4:C-4:N-2:	N-3:O-1:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(NO)	N(NCS)(O)	S(C[6a]C[6a]2)(NCN)(O)2	N(SC[6a]OO)(CH3)(NO)	N(NCS)(O)	S(C[6a]C[6a]2)(NCN)(O)2	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:4:2:	3:3:	3:3:1:1:	C-4:S-4:N-2:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(NC)	N(CC[6a]H)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	N(CC[6a]CH)(SC[6a]OO)(NC)	N(CC[6a]H)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	114.1243	16.149	3	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:4:2:	3:3:	3:3:1:1:	S-4:C-4:N-2:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(NC)	N(CCH)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	N(SC[6a]OO)(CCHH)(NC)	N(CCH)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	110.2930	0.000	1	110.2930	0.000	1	112.0330	6.055	2	114.1243	16.149	3	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP2_SP2_SP3	N	N	S	4:4:2:	3:3:	3:3:1:1:	S-4:C-4:N-2:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(NC)	N(CC[3]H)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	N(SC[6a]OO)(CCHH)(NC)	N(CC[3]H)(NCS)	S(C[6a]C[6a]2)(NCN)(O)2	113.7730	0.000	1	113.7730	0.000	1	112.0330	6.055	2	114.1243	16.149	3	113.8159	3.387	67	113.8159	3.387	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.1600	1.284	2	115.1600	1.649	2	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.7380	3.104	2	115.7380	9.636	2	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.4460	0.277	2	111.4460	0.077	2	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[3]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[3]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	117.6280	0.000	1	117.6280	0.000	1	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.4580	0.000	1	113.4580	0.000	1	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	110.9495	0.257	2	110.9495	0.066	2	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.1877	0.772	3	113.1877	0.597	3	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	112.4013	1.053	3	112.4013	1.108	3	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	112.1660	0.000	1	112.1660	0.000	1	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	114.8840	0.000	1	114.8840	0.000	1	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.3725	1.669	11	115.3725	2.785	11	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	113.0238	1.351	12	113.0238	1.826	12	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	113.8090	0.000	1	113.8090	0.000	1	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	115.2091	1.850	18	115.2091	3.421	18	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	112.5050	0.000	1	112.5050	0.000	1	114.2123	4.109	61	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[5]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	N(C[5]C[5,6a]C[5])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[5a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[6]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[3,6]C[6])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[3,6]C[6])(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.7570	0.000	1	111.7570	0.000	1	111.8615	0.022	2	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	3:3:1:1:	S-4:N-2:H-1:	C[6]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6,6]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[6])(H)	N(C[6]C[6,6]2)(NHS)	S(C[6a]C[6a]2)(NHN)(O)2	111.9660	0.000	1	111.9660	0.000	1	111.8615	0.022	2	114.1393	4.242	65	114.1564	4.205	67	114.1564	4.205	67
956	941	952	0:SP3_SP2_SP3	N	N	S	4:2:1:	3:3:	4:3:1:1:	S-4:N-2:H-1:	C-3:N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[5]C[5]2Fe)(NHN)(O)2	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	S(C[5]C[5]2Fe)(NHN)(O)2	114.7125	2.324	2	114.7125	5.402	2	114.7125	5.402	2	114.7125	5.402	2	114.1564	4.205	67	114.1564	4.205	67
956	941	956	0:SP2_SP2_SP2	N	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:O-1:	N-3:O-2:	C-4:N-3:H-1:	N(NCH)(NO)(O)	N(NNO)(OC)	N(CH3)(NNO)(H)	N(NCH)(NO)(O)	N(NNO)(OC)	N(CH3)(NNO)(H)	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1
956	941	956	0:SP2_SP2_SP3	N	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:O-1:	N-3:O-2:	C-4:N-3:H-1:	N(NCH)(NO)(O)	N(NNO)(OC)	N(CH3)(NNO)(H)	N(NCH)(NO)(O)	N(NNO)(OC)	N(CH3)(NNO)(H)	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	115.6605	0.152	2	115.3917	0.293	3	115.3917	0.293	3
956	941	956	0:SP2_SP2_SP3	N	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:O-1:	N-3:O-2:	C[6]-4:N-3:H-1:	N(NC[6]H)(NO)(O)	N(NNO)(OC)	N(C[6]C[6]2H)(NNO)(H)	N(NC[6]H)(NO)(O)	N(NNO)(OC)	N(C[6]C[6]2H)(NNO)(H)	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	115.6605	0.152	2	115.3917	0.293	3	115.3917	0.293	3
956	941	956	0:SP2_SP2_SP3	N	N	N	3:2:1:	3:2:	4:4:3:	N-3:N-2:O-1:	N-3:O-2:	C-4:C-4:N-3:	N(NCC)(NO)(O)	N(NNO)(OC)	N(CCHH)(CH3)(NNO)	N(NCC)(NO)(O)	N(NNO)(OC)	N(CCHH)(CH3)(NNO)	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	115.3917	0.293	3	115.3917	0.293	3
956	941	984	0:SP2_SP-NON_SP2	N	N	Ga	4:4:2:	3:1:	3:1:1:1:	Ga-4:Ga-4:N-2:	N-3:N-1:	N-3:Cl-1:Cl-1:Cl-1:	N(GaCl3)2(NN)	N(NGa2)(N)	Ga(NGaN)(Cl)3	N(GaCl3)2(NN)	N(NGa2)(N)	Ga(NGaN)(Cl)3	116.8588	1.853	4	116.8588	3.432	4	116.8588	3.432	4	116.8588	3.432	4	116.8588	3.432	4	116.8588	3.432	4
956	941	992	0:SP2_SP2_SP3	N	N	P	4:2:1:	3:3:	4:4:3:1:	P-4:N-2:H-1:	C-3:N-3:	C-4:C-4:N-3:S-1:	N(PCCS)(NC)(H)	N(CCC)(NHP)	P(CH3)2(NHN)(S)	N(PCCS)(NC)(H)	N(CCC)(NHP)	P(CH3)2(NHN)(S)	116.3840	0.000	1	116.3840	0.000	1	118.5107	3.468	3	118.5107	3.468	3	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:2:1:	3:3:	4:4:3:1:	P-4:N-2:H-1:	C-3:N-3:	C-4:C-4:N-3:S-1:	N(PCCS)(NC)(H)	N(CC[6a]C)(NHP)	P(CH3)2(NHN)(S)	N(PCCS)(NC)(H)	N(CC[6a]C)(NHP)	P(CH3)2(NHN)(S)	119.5740	0.390	2	119.5740	0.152	2	118.5107	3.468	3	118.5107	3.468	3	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:2:1:	3:3:	4:4:4:3:	P-4:N-2:H-1:	C-3:N-3:	C-4:C-4:C-4:N-3:	N(PC3)(NC)(H)	N(CCH)(NHP)	P(CC3)3(NHN)	N(PC3)(NC)(H)	N(CCH)(NHP)	P(CC3)3(NHN)	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	117.8285	10.649	2	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:2:1:	3:3:	4:4:4:3:	P-4:N-2:H-1:	C-3:N-3:	C[6]-4:C[6]-4:C[6]-4:N-3:	N(PC[6]3)(NC)(H)	N(CC[6a]H)(NHP)	P(C[6]C[6]2H)3(NHN)	N(PC[6]3)(NC)(H)	N(CC[6a]H)(NHP)	P(C[6]C[6]2H)3(NHN)	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	117.8285	10.649	2	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	2:3:	2:4:4:3:	C-4:P-4:N-2:	N-2:N-3:	N-2:C-4:C-4:N-3:	N(CHHN)(PCCN)(NN)	N(NC[6a])(NCP)	P(NC[6a])(CC3)2(NCN)	N(CHHN)(PCCN)(NN)	N(NC[6a])(NCP)	P(NC[6a])(CC3)2(NCN)	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	3:3:	2:2:3:1:	C-4:P-4:N-2:	C-3:N-3:	O-2:O-2:N-3:O-1:	N(CH3)(PO3)(NC)	N(CC[6a]H)(NCP)	P(OC[6a])2(NCN)(O)	N(CH3)(PO3)(NC)	N(CC[6a]H)(NCP)	P(OC[6a])2(NCN)(O)	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	3:3:	2:4:4:3:	C-4:P-4:N-2:	C-3:N-3:	N-2:C-4:C-4:N-3:	N(CHHN)(PCCN)(NC)	N(CHH)(NCP)	P(NC[6a])(CC3)2(NCN)	N(CHHN)(PCCN)(NC)	N(CHH)(NCP)	P(NC[6a])(CC3)2(NCN)	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	3:3:	3:2:2:1:	P-4:C-4:N-2:	C-3:N-3:	N-3:O-2:O-2:S-1:	N(POOS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(NCN)(OC)2(S)	N(POOS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(NCN)(OC)2(S)	113.9460	0.000	1	113.9460	0.000	1	113.9460	0.000	1	113.9460	0.000	1	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	3:3:	3:3:3:1:	P-4:C-4:N-2:	C-3:N-3:	C[6a]-3:N-3:N-3:O-1:	N(PC[6a]NO)(CH3)(NC)	N(CC[6a]H)(NCP)	P(C[6a]C[6a]2)(NCN)2(O)	N(PC[6a]NO)(CH3)(NC)	N(CC[6a]H)(NCP)	P(C[6a]C[6a]2)(NCN)2(O)	114.6520	0.000	1	114.6520	0.000	1	114.6520	0.000	1	114.1013	2.485	6	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	3:3:	3:3:3:1:	P-4:C-4:N-2:	C-3:N-3:	N-3:N-3:N-3:S-1:	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(NCN)3(S)	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(NCN)3(S)	113.9912	1.736	5	113.9912	3.015	5	113.9912	3.015	5	114.1013	2.485	6	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP2_SP2_SP3	N	N	P	4:4:2:	3:3:	3:3:3:3:	P-4:C-4:N-2:	C-3:N-3:	S-3:N-3:N-3:N-3:	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(SAg2)(NCN)3	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(SAg2)(NCN)3	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	116.0821	5.961	16	116.0821	5.961	16
956	941	992	0:SP3_SP2_SP3	N	N	P	4:4:2:	3:3:	3:3:3:1:	P-4:C-4:N-2:	C-3:N-3:	C[6a]-3:N-3:N-3:O-1:	N(PC[6a]NO)(CH3)(NC)	N(CC[6a]H)(NCP)	P(C[6a]C[6a]2)(NCN)2(O)	N(PC[6a]NO)(CH3)(NC)	N(CC[6a]H)(NCP)	P(C[6a]C[6a]2)(NCN)2(O)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	111.8400	12.258	3	111.8400	12.258	3	111.8400	12.258	3
956	941	992	0:SP3_SP2_SP3	N	N	P	4:4:2:	3:3:	3:3:3:1:	P-4:C-4:N-2:	C-3:N-3:	N-3:N-3:N-3:S-1:	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(NCN)3(S)	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	P(NCN)3(S)	113.3630	3.256	2	113.3630	10.598	2	113.3630	10.598	2	111.8400	12.258	3	111.8400	12.258	3	111.8400	12.258	3
956	943	951	0:SP3_SP-NON_SP-NON	N	Ga[6]	H	4:4:1:	3:3:3:2:	3:	Ga[6]-4:C-4:H-1:	N[6]-3:N[6]-3:N-3:O-2:	N-3:	N(Ga[6]N[6]2O)(CCHH)(H)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	H(NGa[6]C)	N(Ga[6]N[6]2O)(CCHH)(H)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	H(NGa[6]C)	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:1:	3:3:3:	4:4:3:	P-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:C-4:N-3:	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	P(CCCH)2(NHP)	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	P(CCCH)2(NHP)	120.7580	0.000	1	120.7580	0.000	1	120.7580	0.000	1	120.7580	0.000	1	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:1:	4:4:3:	4:4:3:	P-3:P-3:H-1:	C-4:C-4:N-3:	C-4:C-4:N-3:	N(PCC)2(H)	P(CCCH)2(NHP)	P(CCCH)2(NHP)	N(PCC)2(H)	P(CCCH)2(NHP)	P(CCCH)2(NHP)	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:P-3:P-3:	N-3:Cl-1:Cl-1:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(PCl2)2	P(NC[6a]P)(Cl)2	P(NC[6a]P)(Cl)2	N(C[6a]C[6a]2)(PCl2)2	P(NC[6a]P)(Cl)2	P(NC[6a]P)(Cl)2	122.4911	14.249	7	122.4911	203.047	7	122.4911	203.047	7	120.9899	161.183	9	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:P-3:P-3:	N-3:F-1:F-1:	N-3:F-1:F-1:	N(C[6a]C[6a]2)(PFF)2	P(NC[6a]P)(F)2	P(NC[6a]P)(F)2	N(C[6a]C[6a]2)(PFF)2	P(NC[6a]P)(F)2	P(NC[6a]P)(F)2	115.7355	0.436	2	115.7355	0.190	2	115.7355	0.190	2	120.9899	161.183	9	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:P-3:P-3:	N-3:O-2:O-2:	N-3:O-2:O-2:	N(C[6a]C[6a]2)(POO)2	P(NC[6a]P)(OC[6a])2	P(NC[6a]P)(OC[6a])2	N(C[6a]C[6a]2)(POO)2	P(NC[6a]P)(OC[6a])2	P(NC[6a]P)(OC[6a])2	115.2520	0.000	1	115.2520	0.000	1	115.2520	0.000	1	115.2520	0.000	1	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)2	P(C[6a]C[6a]2)2(NC[6a]P)	P(C[6a]C[6a]2)2(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)2	P(C[6a]C[6a]2)2(NC[6a]P)	P(C[6a]C[6a]2)2(NC[6a]P)	115.1400	3.228	5	115.1400	10.420	5	115.1400	10.420	5	116.0182	12.963	6	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:3:	3:3:3:	3:3:3:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	116.0182	12.963	6	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:4:	3:3:1:	3:3:1:	P-3:P-3:C-4:	C[6a]-3:N-3:Cl-1:	C[6a]-3:N-3:Cl-1:	N(PC[6a]Cl)2(CH3)	P(C[6a]C[6a]2)(NCP)(Cl)	P(C[6a]C[6a]2)(NCP)(Cl)	N(PC[6a]Cl)2(CH3)	P(C[6a]C[6a]2)(NCP)(Cl)	P(C[6a]C[6a]2)(NCP)(Cl)	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)2(CCHH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)	N(PC[6a]2)2(CCHH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)	123.9720	0.454	2	123.9720	0.206	2	123.9720	0.206	2	119.4616	29.615	7	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)(PC[6a]N)(CCCH)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	P(C[6a]C[6a]2)2(NCP)	N(PC[6a]2)(PC[6a]N)(CCCH)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	P(C[6a]C[6a]2)2(NCP)	123.2150	0.071	2	123.2150	0.005	2	123.2150	0.005	2	119.4616	29.615	7	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:N-3:N-3:	C[6a]-3:N-3:N-3:	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NCH)(NCP)	P(C[6a]C[6a]2)(NCH)(NCP)	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NCH)(NCP)	P(C[6a]C[6a]2)(NCH)(NCP)	117.3460	0.000	1	117.3460	0.000	1	113.9523	8.781	3	119.4616	29.615	7	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:N-3:N-3:	C[6a]-3:N-3:N-3:	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	112.6340	0.000	1	112.6340	0.000	1	113.9523	8.781	3	119.4616	29.615	7	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:N-3:N-3:	C[6a]-3:N-3:N-3:	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	111.8770	0.000	1	111.8770	0.000	1	113.9523	8.781	3	119.4616	29.615	7	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	4:3:3:	3:3:3:	3:3:3:	C[3]-4:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[3]C[3]2H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NC[3]P)	P(C[6a]C[6a]2)2(NC[3]P)	N(C[3]C[3]2H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NC[3]P)	P(C[6a]C[6a]2)2(NC[3]P)	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	122.8250	0.384	3	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	4:3:3:	3:3:3:	3:3:3:	C[4]-4:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[4]C[4]2H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NC[4]P)	P(C[6a]C[6a]2)2(NC[4]P)	N(C[4]C[4]2H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NC[4]P)	P(C[6a]C[6a]2)2(NC[4]P)	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	122.8250	0.384	3	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP2_SP3_SP3	N	P	P	4:3:3:	3:3:3:	3:3:3:	C[6]-4:P-3:P-3:	C[6a]-3:N-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6]C[6]2H)(PC[6a]N)2	P(C[6a]C[6a]2)(NC[6]P)(NCC)	P(C[6a]C[6a]2)(NC[6]P)(NCC)	N(C[6]C[6]2H)(PC[6a]N)2	P(C[6a]C[6a]2)(NC[6]P)(NCC)	P(C[6a]C[6a]2)(NC[6]P)(NCC)	122.3600	0.000	1	122.3600	0.000	1	122.3600	0.000	1	122.8250	0.384	3	119.2639	62.125	29	119.2639	62.125	29
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:1:	3:3:3:	4:4:3:	P-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:C-4:N-3:	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	P(CCCH)2(NHP)	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	P(CCCH)2(NHP)	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:2:	4:4:3:	4:4:3:	P-3:P-3:C-2:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:N-3:	N(PC[6]2)2(CC)	P(C[6]C[6]2H)2(NCP)	P(C[6]C[6]2H)2(NCP)	N(PC[6]2)2(CC)	P(C[6]C[6]2H)2(NCP)	P(C[6]C[6]2H)2(NCP)	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:3:	3:3:3:	3:3:3:	N-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(NC[6a]H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	N(NC[6a]H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	123.4970	10.909	4	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:3:	3:3:3:	3:3:3:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	122.3420	5.230	2	122.3420	27.350	2	123.1587	15.676	3	123.4970	10.909	4	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:3:	3:3:3:	3:3:3:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)2(NHP)	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	N(PC[6a]2)2(NHP)	P(C[6a]C[6a]2)2(NNP)	P(C[6a]C[6a]2)2(NNP)	124.7920	0.000	1	124.7920	0.000	1	123.1587	15.676	3	123.4970	10.909	4	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)2(CCHH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)	N(PC[6a]2)2(CCHH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)	124.1630	0.000	1	124.1630	0.000	1	124.1630	0.000	1	121.0353	20.416	3	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)(PC[6a]N)(CCCH)	P(C[6a]C[6a]2)(NCH)(NCP)	P(C[6a]C[6a]2)2(NCP)	N(PC[6a]2)(PC[6a]N)(CCCH)	P(C[6a]C[6a]2)(NCH)(NCP)	P(C[6a]C[6a]2)2(NCP)	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	121.0353	20.416	3	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	3:3:4:	3:3:3:	3:3:3:	P-3:P-3:C-4:	C[6a]-3:N-3:N-3:	C[6a]-3:N-3:N-3:	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	N(PC[6a]N)2(CH3)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	121.0353	20.416	3	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	4:3:3:	3:3:3:	3:3:3:	C-4:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]HH)(PC[6a]2)2	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)	N(CC[6a]HH)(PC[6a]2)2	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)	121.5585	1.398	2	121.5585	1.954	2	121.5585	1.954	2	121.0367	1.794	3	121.4010	11.565	12	121.4010	11.565	12
956	945	945	0:SP3_SP3_SP3	N	P	P	4:3:3:	3:3:3:	3:3:3:	C[6]-4:P-3:P-3:	C[6a]-3:N-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6]C[6]2H)(PC[6a]N)2	P(C[6a]C[6a]2)(NC[6]P)(NCC)	P(C[6a]C[6a]2)(NC[6]P)(NCC)	N(C[6]C[6]2H)(PC[6a]N)2	P(C[6a]C[6a]2)(NC[6]P)(NCC)	P(C[6a]C[6a]2)(NC[6]P)(NCC)	119.9930	0.000	1	119.9930	0.000	1	119.9930	0.000	1	121.0367	1.794	3	121.4010	11.565	12	121.4010	11.565	12
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:2:2:	3:	C[6]-3:P-3:H-1:	N-3:O-2:O-2:	N-3:	N(C[6]C[6]N[6])(POO)(H)	P(NC[6]H)(OC)2	H(NC[6]P)	N(C[6]C[6]N[6])(POO)(H)	P(NC[6]H)(OC)2	H(NC[6]P)	116.4810	0.434	3	116.4810	0.188	3	116.4810	0.188	3	116.4810	0.188	3	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	C[5a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[5a]H)	H(NC[5a]P)	N(C[5a]N[5a]S[5a])(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[5a]H)	H(NC[5a]P)	121.2265	1.828	2	121.2265	3.341	2	121.2265	3.341	2	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[6]H)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[6]H)	H(NC[6]P)	118.5865	1.771	2	118.5865	3.138	2	118.5865	3.138	2	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[6a]H)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[6a]H)	H(NC[6a]P)	119.9433	2.271	7	119.9433	5.158	7	119.9433	5.158	7	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]N)(H)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]N)(H)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	H(NC[6a]P)	121.0030	2.780	2	121.0030	7.730	2	121.0030	7.730	2	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNN)(H)	P(NC[6a]H)(NCC)2	H(NC[6a]P)	N(C[6a]C[6a]2)(PNN)(H)	P(NC[6a]H)(NCC)2	H(NC[6a]P)	120.2330	0.481	2	120.2330	0.231	2	120.2330	0.231	2	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(CCO)(H)	P(C[6a]C[6a]2)2(NCH)	H(NCP)	N(PC[6a]2)(CCO)(H)	P(C[6a]C[6a]2)2(NCH)	H(NCP)	118.8730	0.000	1	118.8730	0.000	1	119.9700	1.472	3	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(CNO)(H)	P(C[6a]C[6a]2)2(NCH)	H(NCP)	N(PC[6a]2)(CNO)(H)	P(C[6a]C[6a]2)2(NCH)	H(NCP)	120.5185	1.067	2	120.5185	1.139	2	119.9700	1.472	3	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	120.0714	3.192	19	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:4:4:	3:	C[6]-3:P-3:H-1:	N-3:C-4:C-4:	N-3:	N(C[6]C[6]N[6])(PCC)(H)	P(NC[6]H)(CCHH)2	H(NC[6]P)	N(C[6]C[6]N[6])(PCC)(H)	P(NC[6]H)(CCHH)2	H(NC[6]P)	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	120.4887	1.413	3	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	3:4:4:	3:	C[6a]-3:P-3:H-1:	N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]N[6a])(PCC)(H)	P(NC[6a]H)(CCCH)2	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PCC)(H)	P(NC[6a]H)(CCCH)2	H(NC[6a]P)	119.8030	0.068	2	119.8030	0.005	2	119.8030	0.005	2	120.4887	1.413	3	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	4:4:3:	3:	C-3:P-3:H-1:	C-4:C-4:N-3:	N-3:	N(CCC)(PCC)(H)	P(CC3)2(NCH)	H(NCP)	N(CCC)(PCC)(H)	P(CC3)2(NCH)	H(NCP)	119.6810	0.000	1	119.6810	0.000	1	118.2030	2.017	3	118.0574	2.064	8	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	4:4:3:	3:	C-3:P-3:H-1:	C-4:C-4:N-3:	N-3:	N(CC[6a]N)(PCC)(H)	P(CC3)2(NCH)	H(NCP)	N(CC[6a]N)(PCC)(H)	P(CC3)2(NCH)	H(NCP)	117.4640	0.870	2	117.4640	0.756	2	118.2030	2.017	3	118.0574	2.064	8	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	4:4:3:	3:	C[6a]-3:P-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6]2)(H)	P(C[6]C[6]2H)2(NC[6a]H)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6]2)(H)	P(C[6]C[6]2H)2(NC[6a]H)	H(NC[6a]P)	116.6145	0.579	2	116.6145	0.335	2	116.6145	0.335	2	118.0574	2.064	8	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	4:4:3:	3:	P-3:P-3:H-1:	C-4:C-4:N-3:	N-3:	N(PCC)2(H)	P(CCCH)2(NHP)	H(NPP)	N(PCC)2(H)	P(CCCH)2(NHP)	H(NPP)	119.3665	1.548	2	119.3665	2.396	2	118.8737	1.927	3	118.0574	2.064	8	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	3:3:1:	4:4:3:	3:	P-3:P-3:H-1:	C-4:C-4:N-3:	N-3:	N(PC[6a]2)(PCC)(H)	P(CCCH)2(NHP)	H(NPP)	N(PC[6a]2)(PCC)(H)	P(CCCH)2(NHP)	H(NPP)	117.8880	0.000	1	117.8880	0.000	1	118.8737	1.927	3	118.0574	2.064	8	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	4:3:1:	3:1:1:	3:	C-4:P-3:H-1:	N-3:Cl-1:Cl-1:	N-3:	N(CC[6a]3)(PCl2)(H)	P(NCH)(Cl)2	H(NCP)	N(CC[6a]3)(PCl2)(H)	P(NCH)(Cl)2	H(NCP)	116.7995	1.722	2	116.7995	2.965	2	116.7995	2.965	2	116.7995	2.965	2	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP2_SP-NON_SP3	N	P	H	4:3:1:	3:3:3:	3:	P-4:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	119.0293	4.587	36	119.0293	4.587	36
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	3:1:1:	3:	C[6a]-3:P-3:H-1:	N-3:Cl-1:Cl-1:	N-3:	N(C[6a]C[6a]2)(PCl2)(H)	P(NC[6a]H)(Cl)2	H(NC[6a]P)	N(C[6a]C[6a]2)(PCl2)(H)	P(NC[6a]H)(Cl)2	H(NC[6a]P)	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[6a]H)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NC[6a]H)	H(NC[6a]P)	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	120.2580	7.545	5	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(NCC)(H)	P(C[6a]C[6a]2)2(NHN)	H(NNP)	N(PC[6a]2)(NCC)(H)	P(C[6a]C[6a]2)2(NHN)	H(NNP)	122.8360	0.000	1	122.8360	0.000	1	122.1063	0.417	3	120.2580	7.545	5	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(NHP)(H)	P(C[6a]C[6a]2)2(NHN)	H(NNP)	N(PC[6a]2)(NHP)(H)	P(C[6a]C[6a]2)2(NHN)	H(NNP)	121.8730	0.000	1	121.8730	0.000	1	122.1063	0.417	3	120.2580	7.545	5	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(NPP)(H)	P(C[6a]C[6a]2)2(NHN)	H(NNP)	N(PC[6a]2)(NPP)(H)	P(C[6a]C[6a]2)2(NHN)	H(NNP)	121.6100	0.000	1	121.6100	0.000	1	122.1063	0.417	3	120.2580	7.545	5	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	3:3:3:	3:	P-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	N(PC[6a]2)(PCC)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	120.2580	7.545	5	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:3:1:	4:4:3:	3:	P-3:P-3:H-1:	C-4:C-4:N-3:	N-3:	N(PC[6a]2)(PCC)(H)	P(CCCH)2(NHP)	H(NPP)	N(PC[6a]2)(PCC)(H)	P(CCCH)2(NHP)	H(NPP)	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:4:1:	3:3:3:	3:	P-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(PC[6a]N)(CC3)(H)	P(C[6a]C[6a]2)(NCH)(NCP)	H(NCP)	N(PC[6a]N)(CC3)(H)	P(C[6a]C[6a]2)(NCH)(NCP)	H(NCP)	117.2370	0.696	2	117.2370	0.484	2	119.1033	10.692	3	119.1033	10.692	3	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	3:4:1:	3:3:3:	3:	P-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(PC[6a]N)(CCHH)(H)	P(C[6a]C[6a]2)(NCH)(NCP)	H(NCP)	N(PC[6a]N)(CCHH)(H)	P(C[6a]C[6a]2)(NCH)(NCP)	H(NCP)	122.8360	0.000	1	122.8360	0.000	1	119.1033	10.692	3	119.1033	10.692	3	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	4:3:1:	3:3:3:	3:	P-4:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	H(NPP)	125.3830	0.000	1	125.3830	0.000	1	125.3830	0.000	1	125.3830	0.000	1	119.9053	8.874	12	119.9053	8.874	12
956	945	951	0:SP3_SP-NON_SP3	N	P	H	4:3:1:	4:4:3:	3:	C-4:P-3:H-1:	C-4:C-4:N-3:	N-3:	N(CCHH)(PCC)(H)	P(CCCH)2(NCH)	H(NCP)	N(CCHH)(PCC)(H)	P(CCCH)2(NCH)	H(NCP)	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.9053	8.874	12	119.9053	8.874	12
956	945	956	0:SP2_SP2_SP3	N	P	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:P-3:	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	P(C[6a]C[6a]2)2(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	P(C[6a]C[6a]2)2(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	112.2320	0.226	2	112.2320	0.051	2	112.2320	0.051	2	112.2320	0.051	2	116.6397	58.308	3	116.6397	58.308	3
956	945	956	0:SP2_SP2_SP3	N	P	N	3:4:3:	3:3:1:	4:4:3:	P-3:Si-4:N-3:	C[6a]-3:N-3:Cl-1:	Si-4:Si-4:N-3:	N(PC[6a]Cl)(SiC3)(NSi2)	P(C[6a]C[6a]2)(NSiN)(Cl)	N(SiC3)2(NSiP)	N(PC[6a]Cl)(SiC3)(NSi2)	P(C[6a]C[6a]2)(NSiN)(Cl)	N(SiC3)2(NSiP)	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	116.6397	58.308	3	116.6397	58.308	3
956	945	956	0:SP2_SP3_SP3	N	P	N	3:3:3:	3:3:3:	4:3:1:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:H-1:	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	N(CC3)(NPP)(H)	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	N(CC3)(NPP)(H)	118.6060	0.617	2	118.6060	0.380	2	118.6060	0.380	2	118.6060	0.380	2	118.6060	0.380	2	118.6060	0.380	2
956	945	956	0:SP3_SP2_SP3	N	P	N	3:3:3:	3:3:3:	3:3:1:	N-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NNP)	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	N(NC[6a]H)(PC[6a]2)2	P(C[6a]C[6a]2)2(NNP)	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	116.0915	5.283	2	116.0915	27.908	2	116.0915	27.908	2	116.0915	27.908	2	115.7758	13.399	5	115.7758	13.399	5
956	945	956	0:SP3_SP2_SP3	N	P	N	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:N-3:P-3:	N-3:C-4:C-4:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	P(NC[6a]N)(CCCH)2	N(C[6a]C[6a]2)(NC[6a]P)(H)	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	P(NC[6a]N)(CCCH)2	N(C[6a]C[6a]2)(NC[6a]P)(H)	117.6210	0.000	2	117.6210	0.000	2	117.6210	0.000	2	117.6210	0.000	2	115.7758	13.399	5	115.7758	13.399	5
956	945	956	0:SP3_SP2_SP3	N	P	N	4:3:3:	3:3:1:	4:4:3:	Si-4:N-3:P-3:	N-3:P-3:Cl-1:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PClP)	P(NSiN)(PClN)(Cl)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PClP)	P(NSiN)(PClN)(Cl)	N(SiC3)2(NSiP)	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	115.7758	13.399	5	115.7758	13.399	5
956	945	956	0:SP3_SP3_SP3	N	P	N	3:3:1:	3:3:3:	3:3:3:	P-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	P-3:P-3:N-3:	N(PC[6a]2)(NPP)(H)	P(C[6a]C[6a]2)2(NHN)	N(PC[6a]2)2(NHP)	N(PC[6a]2)(NPP)(H)	P(C[6a]C[6a]2)2(NHN)	N(PC[6a]2)2(NHP)	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	117.1435	2.653	11	117.1435	2.653	11
956	945	956	0:SP3_SP3_SP3	N	P	N	3:3:1:	3:3:3:	4:3:1:	P-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	P-4:N-3:H-1:	N(PC[6a]2)(NHP)(H)	P(C[6a]C[6a]2)2(NHN)	N(PC[6a]2O)(NHP)(H)	N(PC[6a]2)(NHP)(H)	P(C[6a]C[6a]2)2(NHN)	N(PC[6a]2O)(NHP)(H)	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	117.1435	2.653	11	117.1435	2.653	11
956	945	956	0:SP3_SP3_SP3	N	P	N	3:3:1:	3:3:3:	4:4:3:	P-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:C-4:N-3:	N(PC[6a]2)(NCC)(H)	P(C[6a]C[6a]2)2(NHN)	N(CH3)2(NHP)	N(PC[6a]2)(NCC)(H)	P(C[6a]C[6a]2)2(NHN)	N(CH3)2(NHP)	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	117.1435	2.653	11	117.1435	2.653	11
956	945	956	0:SP3_SP3_SP3	N	P	N	3:3:3:	3:3:3:	3:3:1:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	P-3:N-3:H-1:	N(PC[6a]2)2(NHP)	P(C[6a]C[6a]2)2(NNP)	N(PC[6a]2)(NPP)(H)	N(PC[6a]2)2(NHP)	P(C[6a]C[6a]2)2(NNP)	N(PC[6a]2)(NPP)(H)	117.5440	0.372	2	117.5440	0.138	2	117.5440	0.138	2	117.5440	0.138	2	117.1435	2.653	11	117.1435	2.653	11
956	945	956	0:SP3_SP3_SP3	N	P	N	3:3:3:	3:3:3:	4:3:1:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:H-1:	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	N(CC3)(NPP)(H)	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	N(CC3)(NPP)(H)	119.3545	0.957	2	119.3545	0.915	2	118.0162	3.229	4	118.0162	3.229	4	117.1435	2.653	11	117.1435	2.653	11
956	945	956	0:SP3_SP3_SP3	N	P	N	3:3:3:	3:3:3:	4:3:1:	P-3:P-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:H-1:	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	N(CH3)(NPP)(H)	N(PC[6a]2)2(NCH)	P(C[6a]C[6a]2)2(NNP)	N(CH3)(NPP)(H)	116.6780	1.269	2	116.6780	1.609	2	118.0162	3.229	4	118.0162	3.229	4	117.1435	2.653	11	117.1435	2.653	11
956	945	956	0:SP3_SP3_SP3	N	P	N	3:4:3:	3:3:3:	3:4:3:	P-3:C-4:N-3:	C[6a]-3:C[6a]-3:N-3:	P-3:C-4:N-3:	N(PC[6a]2)(CCHH)(NCP)	P(C[6a]C[6a]2)2(NCN)	N(PC[6a]2)(CCHH)(NCP)	N(PC[6a]2)(CCHH)(NCP)	P(C[6a]C[6a]2)2(NCN)	N(PC[6a]2)(CCHH)(NCP)	117.4515	1.391	2	117.4515	1.935	2	117.4515	1.935	2	117.4515	1.935	2	117.1435	2.653	11	117.1435	2.653	11
956	945	983	0:SP3_SP1_SP3	N	P	C	3:3:2:	4:4:3:	3:2:	P-3:P-3:C-2:	C[6]-4:C[6]-4:N-3:	N-3:C-2:	N(PC[6]2)2(CC)	P(C[6]C[6]2H)2(NCP)	C(NPP)(CP)	N(PC[6]2)2(CC)	P(C[6]C[6]2H)2(NCP)	C(NPP)(CP)	121.8300	0.704	2	121.8300	0.496	2	121.8300	0.496	2	121.8300	0.496	2	121.8300	0.496	2	121.8300	0.496	2
956	945	992	0:SP2_SP3_SP3	N	P	P	4:3:1:	3:3:3:	3:3:4:3:	P-4:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	P(C[6a]C[6a]2)2(BHHP)(NHP)	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	P(C[6a]C[6a]2)2(BHHP)(NHP)	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	123.8155	8.541	2	123.8155	8.541	2
956	945	992	0:SP2_SP3_SP3	N	P	P	4:3:4:	3:3:3:	3:3:3:1:	P-4:P-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:H-1:	N(PC[6a]2H)(PC[6a]2)(CCCH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)(H)	N(PC[6a]2H)(PC[6a]2)(CCCH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)(H)	125.8820	0.000	1	125.8820	0.000	1	125.8820	0.000	1	125.8820	0.000	1	123.8155	8.541	2	123.8155	8.541	2
956	945	992	0:SP3_SP3_SP3	N	P	P	4:3:1:	3:3:3:	3:3:4:3:	P-4:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	P(C[6a]C[6a]2)2(BHHP)(NHP)	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(NHP)	P(C[6a]C[6a]2)2(BHHP)(NHP)	122.9470	0.000	1	122.9470	0.000	1	122.9470	0.000	1	122.9470	0.000	1	120.6343	5.775	3	120.6343	5.775	3
956	945	992	0:SP3_SP3_SP3	N	P	P	4:3:4:	3:3:3:	3:3:3:2:	P-4:P-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:N-2:	N(PC[6a]2N)(PC[6a]2)(CCHH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)(NSi)	N(PC[6a]2N)(PC[6a]2)(CCHH)	P(C[6a]C[6a]2)2(NCP)	P(C[6a]C[6a]2)2(NCP)(NSi)	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	120.6343	5.775	3	120.6343	5.775	3
956	945	992	0:SP3_SP3_SP3	N	P	P	4:4:3:	2:2:3:	2:2:3:1:	C-4:P-4:P-3:	O-2:O-2:N-3:	O-2:O-2:N-3:O-1:	N(CCHH)(PO3)(POO)	P(OC[6a])2(NCP)	P(OC[6a])2(NCP)(O)	N(CCHH)(PO3)(POO)	P(OC[6a])2(NCP)	P(OC[6a])2(NCP)(O)	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.6343	5.775	3	120.6343	5.775	3
956	945	996	0:SP2_SP3_SP3	N	P	Si[4]	4:3:3:	3:3:3:	3:3:3:3:	Si[4]-4:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:Ge-3:	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	P(C[6a]C[6a]2)2(NC[6a]Si[4])	Si[4](N[4]C[4]C)2(NC[6a]P)(GeCl2)	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	P(C[6a]C[6a]2)2(NC[6a]Si[4])	Si[4](N[4]C[4]C)2(NC[6a]P)(GeCl2){1|C<3>}	102.0680	0.000	1	102.0680	0.000	1	102.0680	0.000	1	102.0680	0.000	1	104.1055	8.303	2	104.1055	8.303	2
956	945	996	0:SP2_SP3_SP3	N	P	Si[4]	4:3:4:	3:1:1:	3:3:4:3:	Si[4]-4:P-3:C-4:	N-3:Cl-1:Cl-1:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(PCl2)(CC3)	P(NSi[4]C)(Cl)2	Si[4](N[4]Si[4]C)2(CH3)(NCP)	N(Si[4]N[4]2C)(PCl2)(CC3)	P(NSi[4]C)(Cl)2	Si[4](N[4]Si[4]C)2(CH3)(NCP){1|C<4>,1|N<3>}	106.1430	0.000	1	106.1430	0.000	1	106.1430	0.000	1	106.1430	0.000	1	104.1055	8.303	2	104.1055	8.303	2
956	945	996	0:SP3_SP3_SP3	N	P	Si[4]	4:3:4:	3:1:1:	3:3:4:3:	Si[4]-4:P-3:C-4:	N-3:Cl-1:Cl-1:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(PCl2)(CC3)	P(NSi[4]C)(Cl)2	Si[4](N[4]Si[4]C)2(CH3)(NCP)	N(Si[4]N[4]2C)(PCl2)(CC3)	P(NSi[4]C)(Cl)2	Si[4](N[4]Si[4]C)2(CH3)(NCP){1|C<4>,1|N<3>}	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	1:1:1:	3:	3:	H-1:H-1:H-1:	N-3:	N-3:	N(H)3	H(NHH)	H(NHH)	N(H)3	H(NHH)	H(NHH)	117.9328	17.700	8	117.9328	313.293	8	117.9328	313.293	8	117.9328	313.293	8	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC)(H)2	H(NHN)	H(NHN)	N(NC)(H)2	H(NHN)	H(NHN)	117.0551	4.779	18	117.0551	22.838	18	117.0609	48.462	26	117.0609	48.462	26	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC[5])(H)2	H(NHN)	H(NHN)	N(NC[5])(H)2	H(NHN)	H(NHN)	124.8328	2.280	4	124.8328	5.200	4	117.0609	48.462	26	117.0609	48.462	26	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC[6])(H)2	H(NHN)	H(NHN)	N(NC[6])(H)2	H(NHN)	H(NHN)	114.7460	0.000	1	114.7460	0.000	1	117.0609	48.462	26	117.0609	48.462	26	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NMo)(H)2	H(NHN)	H(NHN)	N(NMo)(H)2	H(NHN)	H(NHN)	95.4992	0.000	1	95.4992	0.000	1	117.0609	48.462	26	117.0609	48.462	26	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NOs)(H)2	H(NHN)	H(NHN)	N(NOs)(H)2	H(NHN)	H(NHN)	107.5670	0.000	1	107.5670	0.000	1	117.0609	48.462	26	117.0609	48.462	26	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NW)(H)2	H(NHN)	H(NHN)	N(NW)(H)2	H(NHN)	H(NHN)	119.4480	0.000	1	119.4480	0.000	1	117.0609	48.462	26	117.0609	48.462	26	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	B-3:H-1:H-1:	N-3:	N-3:	N(BC[6a]2)(H)2	H(NBH)	H(NBH)	N(BC[6a]2)(H)2	H(NBH)	H(NBH)	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCC)(H)2	H(NCH)	H(NCH)	N(CCC)(H)2	H(NCH)	H(NCH)	119.5019	2.038	40	119.5019	4.151	40	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCH)(H)2	H(NCH)	H(NCH)	N(CCH)(H)2	H(NCH)	H(NCH)	119.2607	1.863	6	119.2607	3.472	6	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCN)(H)2	H(NCH)	H(NCH)	N(CCN)(H)2	H(NCH)	H(NCH)	120.0942	2.036	186	120.0942	4.146	186	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCO)(H)2	H(NCH)	H(NCH)	N(CCO)(H)2	H(NCH)	H(NCH)	120.0907	2.673	582	120.0907	7.143	582	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCS)(H)2	H(NCH)	H(NCH)	N(CCS)(H)2	H(NCH)	H(NCH)	120.8884	2.695	32	120.8884	7.262	32	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[3]O)(H)2	H(NCH)	H(NCH)	N(CC[3]O)(H)2	H(NCH)	H(NCH)	120.0548	0.449	6	120.0548	0.201	6	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[3x4,3x6]O)(H)2	H(NCH)	H(NCH)	N(CC[3x4,3x6]O)(H)2	H(NCH)	H(NCH)	115.7010	0.000	1	115.7010	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[4]O)(H)2	H(NCH)	H(NCH)	N(CC[4]O)(H)2	H(NCH)	H(NCH)	117.5362	2.474	4	117.5362	6.122	4	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5,5,6]O)(H)2	H(NCH)	H(NCH)	N(CC[5,5,6]O)(H)2	H(NCH)	H(NCH)	121.3200	0.000	1	121.3200	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5,6]O)(H)2	H(NCH)	H(NCH)	N(CC[5,6]O)(H)2	H(NCH)	H(NCH)	122.6562	3.419	4	122.6562	11.690	4	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5]C)(H)2	H(NCH)	H(NCH)	N(CC[5]C)(H)2	H(NCH)	H(NCH)	122.0856	3.146	5	122.0856	9.897	5	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5]N)(H)2	H(NCH)	H(NCH)	N(CC[5]N)(H)2	H(NCH)	H(NCH)	119.4657	1.401	4	119.4657	1.963	4	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5]O)(H)2	H(NCH)	H(NCH)	N(CC[5]O)(H)2	H(NCH)	H(NCH)	119.7402	1.936	80	119.7402	3.748	80	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5]S)(H)2	H(NCH)	H(NCH)	N(CC[5]S)(H)2	H(NCH)	H(NCH)	119.9960	0.000	1	119.9960	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5a]2)(H)2	H(NCH)	H(NCH)	N(CC[5a]2)(H)2	H(NCH)	H(NCH)	120.0420	0.000	1	120.0420	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5a]C)(H)2	H(NCH)	H(NCH)	N(CC[5a]C)(H)2	H(NCH)	H(NCH)	120.0050	0.132	2	120.0050	0.017	2	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5a]N)(H)2	H(NCH)	H(NCH)	N(CC[5a]N)(H)2	H(NCH)	H(NCH)	118.6081	5.012	14	118.6081	25.120	14	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5a]O)(H)2	H(NCH)	H(NCH)	N(CC[5a]O)(H)2	H(NCH)	H(NCH)	120.5058	4.009	61	120.5058	16.073	61	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5a]S)(H)2	H(NCH)	H(NCH)	N(CC[5a]S)(H)2	H(NCH)	H(NCH)	119.1150	0.000	1	119.1150	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5x3,5x5,20x6]O)(H)2	H(NCH)	H(NCH)	N(CC[5x3,5x5,20x6]O)(H)2	H(NCH)	H(NCH)	120.9510	0.000	1	120.9510	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6]C)(H)2	H(NCH)	H(NCH)	N(CC[6]C)(H)2	H(NCH)	H(NCH)	125.8940	0.000	1	125.8940	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6]H)(H)2	H(NCH)	H(NCH)	N(CC[6]H)(H)2	H(NCH)	H(NCH)	124.7000	0.000	1	124.7000	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6]N)(H)2	H(NCH)	H(NCH)	N(CC[6]N)(H)2	H(NCH)	H(NCH)	120.0032	2.073	84	120.0032	4.298	84	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6]O)(H)2	H(NCH)	H(NCH)	N(CC[6]O)(H)2	H(NCH)	H(NCH)	119.5979	2.587	249	119.5979	6.691	249	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6]S)(H)2	H(NCH)	H(NCH)	N(CC[6]S)(H)2	H(NCH)	H(NCH)	116.1184	3.977	24	116.1184	15.815	24	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]2)(H)2	H(NCH)	H(NCH)	N(CC[6a]2)(H)2	H(NCH)	H(NCH)	115.4390	0.000	1	115.4390	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]C)(H)2	H(NCH)	H(NCH)	N(CC[6a]C)(H)2	H(NCH)	H(NCH)	120.0925	1.323	24	120.0925	1.750	24	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]C[5])(H)2	H(NCH)	H(NCH)	N(CC[6a]C[5])(H)2	H(NCH)	H(NCH)	120.0438	0.056	4	120.0438	0.003	4	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]C[6])(H)2	H(NCH)	H(NCH)	N(CC[6a]C[6])(H)2	H(NCH)	H(NCH)	121.1580	2.231	3	121.1580	4.978	3	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]N)(H)2	H(NCH)	H(NCH)	N(CC[6a]N)(H)2	H(NCH)	H(NCH)	119.5498	2.953	295	119.5498	8.719	295	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]O)(H)2	H(NCH)	H(NCH)	N(CC[6a]O)(H)2	H(NCH)	H(NCH)	119.6259	3.041	671	119.6259	9.249	671	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]S)(H)2	H(NCH)	H(NCH)	N(CC[6a]S)(H)2	H(NCH)	H(NCH)	117.9189	3.105	68	117.9189	9.641	68	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCoO)(H)2	H(NCH)	H(NCH)	N(CCoO)(H)2	H(NCH)	H(NCH)	117.7490	0.000	1	117.7490	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCrC)(H)2	H(NCH)	H(NCH)	N(CCrC)(H)2	H(NCH)	H(NCH)	116.2670	0.000	1	116.2670	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CFeC)(H)2	H(NCH)	H(NCH)	N(CFeC)(H)2	H(NCH)	H(NCH)	115.1920	0.078	2	115.1920	0.006	2	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CHN)(H)2	H(NCH)	H(NCH)	N(CHN)(H)2	H(NCH)	H(NCH)	119.8869	1.040	68	119.8869	1.082	68	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CHO)(H)2	H(NCH)	H(NCH)	N(CHO)(H)2	H(NCH)	H(NCH)	119.7407	2.507	28	119.7407	6.286	28	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNN)(H)2	H(NCH)	H(NCH)	N(CNN)(H)2	H(NCH)	H(NCH)	120.2193	2.662	2261	120.2193	7.084	2261	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNO)(H)2	H(NCH)	H(NCH)	N(CNO)(H)2	H(NCH)	H(NCH)	120.4641	2.788	669	120.4641	7.774	669	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNP)(H)2	H(NCH)	H(NCH)	N(CNP)(H)2	H(NCH)	H(NCH)	119.3005	0.860	4	119.3005	0.740	4	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNS)(H)2	H(NCH)	H(NCH)	N(CNS)(H)2	H(NCH)	H(NCH)	119.8683	2.697	821	119.8683	7.273	821	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5,6]O)(H)2	H(NCH)	H(NCH)	N(CN[5,6]O)(H)2	H(NCH)	H(NCH)	119.9735	0.013	2	119.9735	0.000	2	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5]C)(H)2	H(NCH)	H(NCH)	N(CN[5]C)(H)2	H(NCH)	H(NCH)	120.0640	0.000	1	120.0640	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5]N)(H)2	H(NCH)	H(NCH)	N(CN[5]N)(H)2	H(NCH)	H(NCH)	119.9366	3.194	8	119.9366	10.201	8	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5]O)(H)2	H(NCH)	H(NCH)	N(CN[5]O)(H)2	H(NCH)	H(NCH)	121.4385	2.472	6	121.4385	6.111	6	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5]S)(H)2	H(NCH)	H(NCH)	N(CN[5]S)(H)2	H(NCH)	H(NCH)	121.5830	3.287	31	121.5830	10.803	31	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5a]N)(H)2	H(NCH)	H(NCH)	N(CN[5a]N)(H)2	H(NCH)	H(NCH)	118.5037	2.327	8	118.5037	5.417	8	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5a]O)(H)2	H(NCH)	H(NCH)	N(CN[5a]O)(H)2	H(NCH)	H(NCH)	120.6557	1.146	3	120.6557	1.313	3	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5a]S)(H)2	H(NCH)	H(NCH)	N(CN[5a]S)(H)2	H(NCH)	H(NCH)	118.8925	2.934	6	118.8925	8.608	6	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[6]C)(H)2	H(NCH)	H(NCH)	N(CN[6]C)(H)2	H(NCH)	H(NCH)	120.3230	0.000	1	120.3230	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[6]N)(H)2	H(NCH)	H(NCH)	N(CN[6]N)(H)2	H(NCH)	H(NCH)	118.5471	3.309	12	118.5471	10.950	12	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[6]O)(H)2	H(NCH)	H(NCH)	N(CN[6]O)(H)2	H(NCH)	H(NCH)	116.2150	5.296	4	116.2150	28.049	4	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[6a]O)(H)2	H(NCH)	H(NCH)	N(CN[6a]O)(H)2	H(NCH)	H(NCH)	118.6870	0.000	1	118.6870	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(COO)(H)2	H(NCH)	H(NCH)	N(COO)(H)2	H(NCH)	H(NCH)	121.4029	2.596	27	121.4029	6.737	27	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(COP)(H)2	H(NCH)	H(NCH)	N(COP)(H)2	H(NCH)	H(NCH)	119.2293	1.368	3	119.2293	1.872	3	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CRuC)(H)2	H(NCH)	H(NCH)	N(CRuC)(H)2	H(NCH)	H(NCH)	118.6100	3.158	2	118.6100	9.973	2	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CSS)(H)2	H(NCH)	H(NCH)	N(CSS)(H)2	H(NCH)	H(NCH)	120.0095	0.049	2	120.0095	0.002	2	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CSeN)(H)2	H(NCH)	H(NCH)	N(CSeN)(H)2	H(NCH)	H(NCH)	122.2860	0.000	1	122.2860	0.000	1	120.0112	7.604	6430	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	N-3:	N-3:	N(C[5,6]C[5,5,6]C[5,6])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	N(C[5,6]C[5,5,6]C[5,6])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	124.0810	0.000	1	124.0810	0.000	1	124.0810	0.000	1	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[3,5]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[3,5]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	113.3730	0.000	1	113.3730	0.000	1	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,5]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,5]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.9910	0.021	2	119.9910	0.000	2	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	120.0650	0.000	1	120.0650	0.000	1	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	120.2437	0.432	3	120.2437	0.186	3	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6a]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6a]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.8420	0.297	3	119.8420	0.088	3	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6a]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6a]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.4502	2.241	11	119.4502	5.021	11	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	119.6877	3.503	26	119.6877	12.271	26	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.4688	2.877	38	119.4688	8.279	38	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.8438	3.145	17	119.8438	9.888	17	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]S[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]S[5])(H)2	H(NC[5]H)	H(NC[5]H)	118.9175	3.814	11	118.9175	14.543	11	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5,5]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5,5]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.7645	3.644	2	119.7645	13.277	2	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5,5a]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5,5a]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	120.0340	0.000	1	120.0340	0.000	1	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5,6]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5,6]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	121.5685	2.263	2	121.5685	5.123	2	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5,6a]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5,6a]C[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.9920	0.000	1	119.9920	0.000	1	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	120.2732	3.545	223	120.2732	12.565	223	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	122.4522	3.601	18	122.4522	12.964	18	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]S[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]S[5])(H)2	H(NC[5]H)	H(NC[5]H)	119.7888	3.463	200	119.7888	11.994	200	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]Se[5]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]Se[5]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	120.0520	0.000	1	120.0520	0.000	1	120.0184	11.777	561	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	116.4640	5.019	2	116.4640	25.191	2	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,5a]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,5a]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.9990	0.000	1	119.9990	0.000	1	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	117.9250	5.025	3	117.9250	25.246	3	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	117.1693	2.533	3	117.1693	6.416	3	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6a]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6a]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.0622	3.533	19	119.0622	12.486	19	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.7435	1.496	6	119.7435	2.239	6	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	122.4477	2.968	4	122.4477	8.809	4	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.9700	0.000	1	119.9700	0.000	1	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	120.6923	2.388	17	120.6923	5.702	17	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.7055	3.681	118	119.7055	13.551	118	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	120.0397	1.232	20	120.0397	1.518	20	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	120.4686	2.105	37	120.4686	4.433	37	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	120.0178	0.057	4	120.0178	0.003	4	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	114.9290	0.000	1	114.9290	0.000	1	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a,6]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a,6]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.3833	1.121	3	119.3833	1.257	3	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.4960	0.889	3	119.4960	0.790	3	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	119.0936	3.504	73	119.0936	12.278	73	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	120.6945	3.081	19	120.6945	9.490	19	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	120.0225	2.600	140	120.0225	6.759	140	119.8008	9.349	474	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	N-3:	N-3:	N(C[6,6]C[3x6]C[6,6])(H)2	H(NC[6,6]H)	H(NC[6,6]H)	N(C[6,6]C[3x6]C[6,6])(H)2	H(NC[6,6]H)	H(NC[6,6]H)	117.9345	3.014	2	117.9345	9.087	2	117.9345	9.087	2	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	117.7190	5.143	5	117.7190	26.446	5	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	119.8330	1.820	22	119.8330	3.311	22	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[5a,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[5a,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	117.6770	3.209	2	117.6770	10.297	2	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	119.8112	2.838	81	119.8112	8.057	81	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	117.5703	5.441	4	117.5703	29.607	4	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	122.7950	4.823	3	122.7950	23.260	3	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]2)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]2)(H)2	H(NC[6]H)	H(NC[6]H)	118.0117	2.278	30	118.0117	5.190	30	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]C[6,6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]C[6,6])(H)2	H(NC[6]H)	H(NC[6]H)	122.8830	0.000	1	122.8830	0.000	1	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	117.9713	3.257	7	117.9713	10.609	7	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]N[6,6a])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]N[6,6a])(H)2	H(NC[6]H)	H(NC[6]H)	113.9130	2.768	2	113.9130	7.660	2	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	120.6061	3.370	17	120.6061	11.359	17	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	119.9397	3.457	348	119.9397	11.949	348	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	120.0492	3.091	913	120.0492	9.552	913	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]O[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	H(NC[6]H)	H(NC[6]H)	119.8943	3.576	152	119.8943	12.788	152	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]S[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]S[6])(H)2	H(NC[6]H)	H(NC[6]H)	115.7580	0.000	1	115.7580	0.000	1	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[5,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[5,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	120.4428	1.105	10	120.4428	1.220	10	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[5a,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[5a,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	120.0312	0.027	4	120.0312	0.001	4	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[5a,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[5a,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	120.0123	0.046	3	120.0123	0.002	3	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[6,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[6,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	115.2370	0.000	1	115.2370	0.000	1	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	120.1907	2.602	624	120.1907	6.772	624	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[6]S[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[6]S[6])(H)2	H(NC[6]H)	H(NC[6]H)	120.3951	2.188	7	120.3951	4.788	7	120.0071	9.307	2237	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	116.4299	5.759	11	116.4299	33.164	11	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	120.4407	1.908	18	120.4407	3.642	18	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	117.7166	4.447	20	117.7166	19.776	20	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	120.1301	2.836	159	120.1301	8.044	159	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6,6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6,6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	111.6890	0.000	1	111.6890	0.000	1	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	118.1874	4.735	24	118.1874	22.418	24	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	121.5567	2.620	3	121.5567	6.862	3	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	117.7429	4.643	45	117.7429	21.553	45	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	119.5090	1.843	32	119.5090	3.397	32	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	118.4171	5.263	1541	118.4171	27.702	1541	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	120.1521	2.758	521	120.1521	7.604	521	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a]O[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a]O[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	123.1743	1.166	3	123.1743	1.359	3	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	121.5980	3.237	20	121.5980	10.477	20	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]N[5a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	121.5487	1.529	6	121.5487	2.337	6	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]N[6a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]N[6a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	130.2440	0.000	2	130.2440	0.000	2	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]N[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	120.0010	2.707	806	120.0010	7.325	806	119.2190	18.440	3212	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	Ge-3:H-1:H-1:	N-3:	N-3:	N(GeNiN)(H)2	H(NGeH)	H(NGeH)	N(GeNiN)(H)2	H(NGeH)	H(NGeH)	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	Ge[6]-3:H-1:H-1:	N-3:	N-3:	N(Ge[6]N[6]2)(H)2	H(NGe[6]H)	H(NGe[6]H)	N(Ge[6]N[6]2)(H)2	H(NGe[6]H)	H(NGe[6]H)	120.9535	1.334	2	120.9535	1.780	2	120.9535	1.780	2	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCH)(H)2	H(NHN)	H(NHN)	N(NCH)(H)2	H(NHN)	H(NHN)	120.0275	0.115	8	120.0275	0.013	8	120.0005	0.010	13	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[6a]H)(H)2	H(NHN)	H(NHN)	N(NC[6a]H)(H)2	H(NHN)	H(NHN)	120.0250	0.000	1	120.0250	0.000	1	120.0005	0.010	13	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NHH)(H)2	H(NHN)	H(NHN)	N(NHH)(H)2	H(NHN)	H(NHN)	119.9070	0.075	2	119.9070	0.006	2	120.0005	0.010	13	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NPdC)(H)2	H(NHN)	H(NHN)	N(NPdC)(H)2	H(NHN)	H(NHN)	119.9710	0.000	1	119.9710	0.000	1	120.0005	0.010	13	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NReC)(H)2	H(NHN)	H(NHN)	N(NReC)(H)2	H(NHN)	H(NHN)	119.9770	0.000	1	119.9770	0.000	1	120.0005	0.010	13	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5]2)(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5]2)(H)2	H(NN[5]H)	H(NN[5]H)	119.9760	0.068	2	119.9760	0.005	2	132.2092	213.962	4	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5]N[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	H(NN[5]H)	H(NN[5]H)	144.4425	6.578	2	144.4425	43.273	2	132.2092	213.962	4	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a,6a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a,6a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	120.0580	0.000	1	120.0580	0.000	1	120.0243	0.001	3	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a]2)(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a]2)(H)2	H(NN[5a]H)	H(NN[5a]H)	120.0075	0.015	2	120.0075	0.000	2	120.0243	0.001	3	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[6]-3:H-1:H-1:	N-3:	N-3:	N(N[6]C[6]2)(H)2	H(NN[6]H)	H(NN[6]H)	N(N[6]C[6]2)(H)2	H(NN[6]H)	H(NN[6]H)	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[6a]-3:H-1:H-1:	N-3:	N-3:	N(N[6a]C[6a]2)(H)2	H(NN[6a]H)	H(NN[6a]H)	N(N[6a]C[6a]2)(H)2	H(NN[6a]H)	H(NN[6a]H)	119.9710	0.021	2	119.9710	0.000	2	119.9710	0.000	2	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	N-3:	N-3:	N(SC[6a]2)(H)2	H(NHS)	H(NHS)	N(SC[6a]2)(H)2	H(NHS)	H(NHS)	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	Si-3:H-1:H-1:	N-3:	N-3:	N(SiNiN)(H)2	H(NSiH)	H(NSiH)	N(SiNiN)(H)2	H(NSiH)	H(NSiH)	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	119.8101	11.027	12946	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CCCH)(H)2	H(NCH)	H(NCH)	N(CCCH)(H)2	H(NCH)	H(NCH)	119.9742	0.041	6	119.9742	0.002	6	120.0051	0.015	50	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CCHH)(H)2	H(NCH)	H(NCH)	N(CCHH)(H)2	H(NCH)	H(NCH)	119.9887	0.074	36	119.9887	0.005	36	120.0051	0.015	50	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]HH)(H)2	H(NCH)	H(NCH)	N(CC[6a]HH)(H)2	H(NCH)	H(NCH)	120.0240	0.006	4	120.0240	0.000	4	120.0051	0.015	50	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CPtNN)(H)2	H(NCH)	H(NCH)	N(CPtNN)(H)2	H(NCH)	H(NCH)	120.7100	0.000	1	120.7100	0.000	1	120.0051	0.015	50	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CRuNO)(H)2	H(NCH)	H(NCH)	N(CRuNO)(H)2	H(NCH)	H(NCH)	120.0250	0.059	2	120.0250	0.004	2	120.0051	0.015	50	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CRuNS)(H)2	H(NCH)	H(NCH)	N(CRuNS)(H)2	H(NCH)	H(NCH)	119.9580	0.000	1	119.9580	0.000	1	120.0051	0.015	50	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2Mn)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2Mn)(H)2	H(NC[5]H)	H(NC[5]H)	120.0220	0.000	1	120.0220	0.000	1	118.9373	3.526	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2Re)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2Re)(H)2	H(NC[5]H)	H(NC[5]H)	116.7690	0.000	1	116.7690	0.000	1	118.9373	3.526	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]N[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]N[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	120.0210	0.000	1	120.0210	0.000	1	118.9373	3.526	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2H)(H)2	H(NC[6]H)	H(NC[6]H)	119.9953	0.045	3	119.9953	0.002	3	119.3234	2.081	5	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2Mo)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2Mo)(H)2	H(NC[6]H)	H(NC[6]H)	116.7450	0.000	1	116.7450	0.000	1	119.3234	2.081	5	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]O[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]O[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	119.8860	0.000	1	119.8860	0.000	1	119.3234	2.081	5	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NCHH)(H)2	H(NHN)	H(NHN)	N(NCHH)(H)2	H(NHN)	H(NHN)	121.9890	0.000	1	121.9890	0.000	1	120.6853	1.276	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NNiHH)(H)2	H(NHN)	H(NHN)	N(NNiHH)(H)2	H(NHN)	H(NHN)	120.0335	0.056	2	120.0335	0.003	2	120.6853	1.276	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PCHW)(H)2	H(NHP)	H(NHP)	N(PCHW)(H)2	H(NHP)	H(NHP)	119.9990	0.000	1	119.9990	0.000	1	109.4062	114.816	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PC[6a]3)(H)2	H(NHP)	H(NHP)	N(PC[6a]3)(H)2	H(NHP)	H(NHP)	98.5726	0.000	1	98.5726	0.000	1	109.4062	114.816	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PN3)(H)2	H(NHP)	H(NHP)	N(PN3)(H)2	H(NHP)	H(NHP)	109.6470	0.000	1	109.6470	0.000	1	109.4062	114.816	3	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[5]OO)(H)2	H(NHS)	H(NHS)	N(SC[5]OO)(H)2	H(NHS)	H(NHS)	119.9860	0.000	1	119.9860	0.000	1	123.4175	10.814	14	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[5a]OO)(H)2	H(NHS)	H(NHS)	N(SC[5a]OO)(H)2	H(NHS)	H(NHS)	128.0055	0.271	2	128.0055	0.073	2	123.4175	10.814	14	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[6a]OO)(H)2	H(NHS)	H(NHS)	N(SC[6a]OO)(H)2	H(NHS)	H(NHS)	122.8953	2.892	11	122.8953	8.363	11	123.4175	10.814	14	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	N-3:	N-3:	N(SiC[6a]2Si)(H)2	H(NSiH)	H(NSiH)	N(SiC[6a]2Si)(H)2	H(NSiH)	H(NSiH)	115.6320	0.000	1	115.6320	0.000	1	115.6320	0.000	1	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si[6]-4:H-1:H-1:	N-3:	N-3:	N(Si[6]C[6a]N[6]2)(H)2	H(NSi[6]H)	H(NSi[6]H)	N(Si[6]C[6a]N[6]2)(H)2	H(NSi[6]H)	H(NSi[6]H)	121.5640	0.990	2	121.5640	0.980	2	121.3165	5.915	4	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si[6]-4:H-1:H-1:	N-3:	N-3:	N(Si[6]N[6]2Br)(H)2	H(NSi[6]H)	H(NSi[6]H)	N(Si[6]N[6]2Br)(H)2	H(NSi[6]H)	H(NSi[6]H)	118.1950	0.000	1	118.1950	0.000	1	121.3165	5.915	4	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si[6]-4:H-1:H-1:	N-3:	N-3:	N(Si[6]N[6]2H)(H)2	H(NSi[6]H)	H(NSi[6]H)	N(Si[6]N[6]2H)(H)2	H(NSi[6]H)	H(NSi[6]H)	123.9430	0.000	1	123.9430	0.000	1	121.3165	5.915	4	120.1530	11.438	83	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	5:1:1:	3:	3:	C[3x3,4,3x5,14x6]-5:H-1:H-1:	N-3:	N-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)2	H(NC[3x3,4,3x5,14x6]H)	H(NC[3x3,4,3x5,14x6]H)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)2	H(NC[3x3,4,3x5,14x6]H)	H(NC[3x3,4,3x5,14x6]H)	127.0550	0.000	1	127.0550	0.000	1	127.0550	0.000	1	122.6355	39.064	2	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP2_SP-NON_SP-NON	N	H	H	5:1:1:	3:	3:	P[5]-5:H-1:H-1:	N-3:	N-3:	N(P[5]O[5]2OO)(H)2	H(NP[5]H)	H(NP[5]H)	N(P[5]O[5]2OO)(H)2	H(NP[5]H)	H(NP[5]H)	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	122.6355	39.064	2	119.8061	11.281	13065	119.8061	11.281	13065
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	1:1:1:	3:	3:	H-1:H-1:H-1:	N-3:	N-3:	N(H)3	H(NHH)	H(NHH)	N(H)3	H(NHH)	H(NHH)	107.5118	10.486	371	107.5118	109.957	371	107.5118	109.957	371	107.4506	110.435	373	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	1:1:1:	3:	3:	H-1:H-1:N-1:	N-3:	N-3:	N(H)2(N)	H(NHN)	H(NHN)	N(H)2(N)	H(NHN)	H(NHN)	96.1048	11.789	2	96.1048	138.984	2	96.1048	138.984	2	107.4506	110.435	373	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	N-3:	N-3:	N(CC)(H)2	H(NCH)	H(NCH)	N(CC)(H)2	H(NCH)	H(NCH)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC)(H)2	H(NHN)	H(NHN)	N(NC)(H)2	H(NHN)	H(NHN)	111.4483	6.532	23	111.4483	42.673	23	110.2497	62.007	29	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC[5])(H)2	H(NHN)	H(NHN)	N(NC[5])(H)2	H(NHN)	H(NHN)	106.6560	0.000	1	106.6560	0.000	1	110.2497	62.007	29	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC[6,6])(H)2	H(NHN)	H(NHN)	N(NC[6,6])(H)2	H(NHN)	H(NHN)	110.8610	0.000	1	110.8610	0.000	1	110.2497	62.007	29	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NC[6])(H)2	H(NHN)	H(NHN)	N(NC[6])(H)2	H(NHN)	H(NHN)	120.2270	0.000	1	120.2270	0.000	1	110.2497	62.007	29	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	N-3:	N-3:	N(NH)(H)2	H(NHN)	H(NHN)	N(NH)(H)2	H(NHN)	H(NHN)	98.7285	11.254	3	98.7285	126.659	3	110.2497	62.007	29	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	N-3:	N-3:	N(OC)(H)2	H(NHO)	H(NHO)	N(OC)(H)2	H(NHO)	H(NHO)	97.5457	10.481	3	97.5457	109.842	3	99.8846	95.108	4	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	N-3:	N-3:	N(OH)(H)2	H(NHO)	H(NHO)	N(OH)(H)2	H(NHO)	H(NHO)	106.9010	0.000	1	106.9010	0.000	1	99.8846	95.108	4	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	2:1:1:	3:	3:	S-2:H-1:H-1:	N-3:	N-3:	N(SC)(H)2	H(NHS)	H(NHS)	N(SC)(H)2	H(NHS)	H(NHS)	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	109.0671	70.867	35	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCC)(H)2	H(NCH)	H(NCH)	N(CCC)(H)2	H(NCH)	H(NCH)	116.9933	3.329	3	116.9933	11.083	3	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCH)(H)2	H(NCH)	H(NCH)	N(CCH)(H)2	H(NCH)	H(NCH)	118.3180	0.000	1	118.3180	0.000	1	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCN)(H)2	H(NCH)	H(NCH)	N(CCN)(H)2	H(NCH)	H(NCH)	116.4292	4.083	11	116.4292	16.669	11	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCO)(H)2	H(NCH)	H(NCH)	N(CCO)(H)2	H(NCH)	H(NCH)	109.7234	10.495	17	109.7234	110.140	17	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CCS)(H)2	H(NCH)	H(NCH)	N(CCS)(H)2	H(NCH)	H(NCH)	123.3760	0.000	1	123.3760	0.000	1	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5]C)(H)2	H(NCH)	H(NCH)	N(CC[5]C)(H)2	H(NCH)	H(NCH)	120.9340	4.019	2	120.9340	16.154	2	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5]O)(H)2	H(NCH)	H(NCH)	N(CC[5]O)(H)2	H(NCH)	H(NCH)	108.6070	0.000	1	108.6070	0.000	1	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[5a]N)(H)2	H(NCH)	H(NCH)	N(CC[5a]N)(H)2	H(NCH)	H(NCH)	115.6933	5.033	4	115.6933	25.327	4	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6]N)(H)2	H(NCH)	H(NCH)	N(CC[6]N)(H)2	H(NCH)	H(NCH)	118.0970	3.283	4	118.0970	10.778	4	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]C)(H)2	H(NCH)	H(NCH)	N(CC[6a]C)(H)2	H(NCH)	H(NCH)	117.0847	6.901	3	117.0847	47.621	3	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]N)(H)2	H(NCH)	H(NCH)	N(CC[6a]N)(H)2	H(NCH)	H(NCH)	115.9215	6.742	19	115.9215	45.459	19	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]O)(H)2	H(NCH)	H(NCH)	N(CC[6a]O)(H)2	H(NCH)	H(NCH)	114.6997	3.749	8	114.6997	14.053	8	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CC[6a]S)(H)2	H(NCH)	H(NCH)	N(CC[6a]S)(H)2	H(NCH)	H(NCH)	111.7440	0.000	1	111.7440	0.000	1	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNN)(H)2	H(NCH)	H(NCH)	N(CNN)(H)2	H(NCH)	H(NCH)	118.4292	5.383	71	118.4292	28.977	71	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNO)(H)2	H(NCH)	H(NCH)	N(CNO)(H)2	H(NCH)	H(NCH)	116.1793	5.657	37	116.1793	31.998	37	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNP)(H)2	H(NCH)	H(NCH)	N(CNP)(H)2	H(NCH)	H(NCH)	121.0230	1.952	2	121.0230	3.809	2	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CNS)(H)2	H(NCH)	H(NCH)	N(CNS)(H)2	H(NCH)	H(NCH)	115.9698	5.114	9	115.9698	26.150	9	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5]N)(H)2	H(NCH)	H(NCH)	N(CN[5]N)(H)2	H(NCH)	H(NCH)	115.4560	0.000	1	115.4560	0.000	1	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[5]S)(H)2	H(NCH)	H(NCH)	N(CN[5]S)(H)2	H(NCH)	H(NCH)	118.1050	0.000	1	118.1050	0.000	1	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(CN[6]N)(H)2	H(NCH)	H(NCH)	N(CN[6]N)(H)2	H(NCH)	H(NCH)	118.9545	1.029	2	118.9545	1.059	2	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	N-3:	N-3:	N(COO)(H)2	H(NCH)	H(NCH)	N(COO)(H)2	H(NCH)	H(NCH)	116.5542	3.419	4	116.5542	11.691	4	116.5248	39.037	202	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,5,6]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,5,6]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	117.2180	0.000	1	117.2180	0.000	1	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	114.1863	10.311	3	114.1863	106.307	3	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]N[5])(H)2	H(NC[5]H)	H(NC[5]H)	115.7520	2.753	11	115.7520	7.581	11	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	117.2315	3.345	2	117.2315	11.191	2	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]2)(H)2	H(NC[5]H)	H(NC[5]H)	115.9587	4.578	13	115.9587	20.959	13	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]O[5])(H)2	H(NC[5]H)	H(NC[5]H)	116.2260	0.000	1	116.2260	0.000	1	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]S[5])(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]S[5])(H)2	H(NC[5]H)	H(NC[5]H)	116.3897	5.006	10	116.3897	25.065	10	115.9780	19.834	41	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6a]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6a]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	115.5430	3.871	4	115.5430	14.983	4	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	111.5840	3.561	2	111.5840	12.681	2	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	113.6733	7.846	7	113.6733	61.561	7	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	114.8629	4.545	37	114.8629	20.653	37	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	119.5670	0.000	1	119.5670	0.000	1	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]C[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]C[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	117.2637	3.735	3	117.2637	13.949	3	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	120.8720	5.749	2	120.8720	33.048	2	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a,5a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	116.9740	0.000	1	116.9740	0.000	1	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a,6]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a,6]C[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	109.5250	0.000	1	109.5250	0.000	1	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a,6a]N[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	115.9805	1.602	2	115.9805	2.565	2	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a]2)(H)2	H(NC[5a]H)	H(NC[5a]H)	116.9124	3.687	27	116.9124	13.592	27	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a]O[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	117.5510	2.035	3	117.5510	4.142	3	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	N-3:	N-3:	N(C[5a]N[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	N(C[5a]N[5a]S[5a])(H)2	H(NC[5a]H)	H(NC[5a]H)	115.9379	6.248	11	115.9379	39.033	11	115.7143	22.410	101	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	N-3:	N-3:	N(C[6,6]C[3x6]C[6,6])(H)2	H(NC[6,6]H)	H(NC[6,6]H)	N(C[6,6]C[3x6]C[6,6])(H)2	H(NC[6,6]H)	H(NC[6,6]H)	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	128.6210	0.000	1	128.6210	0.000	1	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	118.1070	0.000	1	118.1070	0.000	1	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	116.5344	4.809	38	116.5344	23.125	38	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	115.8549	5.686	48	115.8549	32.329	48	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]O[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	H(NC[6]H)	H(NC[6]H)	114.8181	6.013	14	114.8181	36.158	14	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]S[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]S[6])(H)2	H(NC[6]H)	H(NC[6]H)	115.2020	0.000	1	115.2020	0.000	1	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[6,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[6,6]C[6])(H)2	H(NC[6]H)	H(NC[6]H)	115.6750	0.000	1	115.6750	0.000	1	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	N-3:	N-3:	N(C[6]N[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	112.7222	7.225	7	112.7222	52.202	7	115.8870	31.164	111	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	114.6890	1.956	4	114.6890	3.825	4	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	109.7737	3.464	4	109.7737	12.001	4	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	116.3360	1.245	2	116.3360	1.549	2	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	116.1224	3.447	5	116.1224	11.881	5	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	114.2818	5.477	27	114.2818	29.997	27	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	122.0280	0.000	1	122.0280	0.000	1	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	113.9260	5.615	706	113.9260	31.532	706	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	117.3234	5.120	36	117.3234	26.217	36	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	H(NC[6a]H)	H(NC[6a]H)	118.6540	0.000	1	118.6540	0.000	1	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	N-3:	N-3:	N(C[6a]N[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	H(NC[6a]H)	H(NC[6a]H)	117.0546	4.885	46	117.0546	23.866	46	114.2756	31.360	832	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	Ge-3:H-1:H-1:	N-3:	N-3:	N(GeOO)(H)2	H(NGeH)	H(NGeH)	N(GeOO)(H)2	H(NGeH)	H(NGeH)	115.2140	0.000	1	115.2140	0.000	1	115.2140	0.000	1	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCC)(H)2	H(NHN)	H(NHN)	N(NCC)(H)2	H(NHN)	H(NHN)	111.0863	8.764	3	111.0863	76.806	3	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCH)(H)2	H(NHN)	H(NHN)	N(NCH)(H)2	H(NHN)	H(NHN)	107.6891	5.468	379	107.6891	29.899	379	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCP)(H)2	H(NHN)	H(NHN)	N(NCP)(H)2	H(NHN)	H(NHN)	107.8275	2.505	4	107.8275	6.277	4	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCS)(H)2	H(NHN)	H(NHN)	N(NCS)(H)2	H(NHN)	H(NHN)	113.3915	3.961	2	113.3915	15.686	2	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[5]H)(H)2	H(NHN)	H(NHN)	N(NC[5]H)(H)2	H(NHN)	H(NHN)	112.8432	3.584	4	112.8432	12.846	4	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[5]S)(H)2	H(NHN)	H(NHN)	N(NC[5]S)(H)2	H(NHN)	H(NHN)	119.9920	0.000	1	119.9920	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[5a]C)(H)2	H(NHN)	H(NHN)	N(NC[5a]C)(H)2	H(NHN)	H(NHN)	108.0160	0.000	1	108.0160	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[5a]H)(H)2	H(NHN)	H(NHN)	N(NC[5a]H)(H)2	H(NHN)	H(NHN)	107.8465	3.716	6	107.8465	13.809	6	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[6]C)(H)2	H(NHN)	H(NHN)	N(NC[6]C)(H)2	H(NHN)	H(NHN)	108.5580	0.000	1	108.5580	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[6]H)(H)2	H(NHN)	H(NHN)	N(NC[6]H)(H)2	H(NHN)	H(NHN)	105.7859	7.222	6	105.7859	52.161	6	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[6a]2)(H)2	H(NHN)	H(NHN)	N(NC[6a]2)(H)2	H(NHN)	H(NHN)	112.9553	7.557	3	112.9553	57.105	3	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[6a]C)(H)2	H(NHN)	H(NHN)	N(NC[6a]C)(H)2	H(NHN)	H(NHN)	112.4893	6.573	3	112.4893	43.207	3	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NC[6a]H)(H)2	H(NHN)	H(NHN)	N(NC[6a]H)(H)2	H(NHN)	H(NHN)	107.8012	6.937	17	107.8012	48.124	17	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCdC)(H)2	H(NHN)	H(NHN)	N(NCdC)(H)2	H(NHN)	H(NHN)	106.8530	0.000	1	106.8530	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NCoC)(H)2	H(NHN)	H(NHN)	N(NCoC)(H)2	H(NHN)	H(NHN)	109.1900	0.000	1	109.1900	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NGeH)(H)2	H(NHN)	H(NHN)	N(NGeH)(H)2	H(NHN)	H(NHN)	130.6340	0.000	1	130.6340	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NGe[6a]H)(H)2	H(NHN)	H(NHN)	N(NGe[6a]H)(H)2	H(NHN)	H(NHN)	94.1834	0.000	1	94.1834	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NHH)(H)2	H(NHN)	H(NHN)	N(NHH)(H)2	H(NHN)	H(NHN)	107.4045	7.092	17	107.4045	50.300	17	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NHS)(H)2	H(NHN)	H(NHN)	N(NHS)(H)2	H(NHN)	H(NHN)	108.7720	0.000	1	108.7720	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NPP)(H)2	H(NHN)	H(NHN)	N(NPP)(H)2	H(NHN)	H(NHN)	108.5270	0.249	2	108.5270	0.062	2	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NP[6]C)(H)2	H(NHN)	H(NHN)	N(NP[6]C)(H)2	H(NHN)	H(NHN)	108.0868	1.178	6	108.0868	1.388	6	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NReC)(H)2	H(NHN)	H(NHN)	N(NReC)(H)2	H(NHN)	H(NHN)	119.8440	0.000	1	119.8440	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NRhC)(H)2	H(NHN)	H(NHN)	N(NRhC)(H)2	H(NHN)	H(NHN)	112.4520	2.295	2	112.4520	5.268	2	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NSi[6]H)(H)2	H(NHN)	H(NHN)	N(NSi[6]H)(H)2	H(NHN)	H(NHN)	105.4520	0.000	1	105.4520	0.000	1	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	N-3:	N-3:	N(NZnC)(H)2	H(NHN)	H(NHN)	N(NZnC)(H)2	H(NHN)	H(NHN)	113.4253	6.064	7	113.4253	36.776	7	108.0031	32.975	471	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5,5]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5,5]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	120.0830	0.000	1	120.0830	0.000	1	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5,5a]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5,5a]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	108.5772	2.411	5	108.5772	5.812	5	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5,6]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5,6]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	111.0250	3.001	3	111.0250	9.009	3	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5]2)(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5]2)(H)2	H(NN[5]H)	H(NN[5]H)	108.3222	5.461	288	108.3222	29.823	288	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]C[5]N[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	H(NN[5]H)	H(NN[5]H)	110.0314	5.127	36	110.0314	26.283	36	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]Ge[5]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]Ge[5]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	113.1333	11.374	4	113.1333	129.376	4	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]N[5]2)(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]N[5]2)(H)2	H(NN[5]H)	H(NN[5]H)	110.8631	3.397	17	110.8631	11.542	17	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	N-3:	N-3:	N(N[5]Si[5,6]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	N(N[5]Si[5,6]C[5])(H)2	H(NN[5]H)	H(NN[5]H)	105.5950	0.000	1	105.5950	0.000	1	108.7233	29.694	355	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5,5a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5,5a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	115.7505	4.532	2	115.7505	20.538	2	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a,5a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a,5a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	104.6970	0.000	1	104.6970	0.000	1	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a,5a]N[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a,5a]N[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	106.0380	0.000	1	106.0380	0.000	1	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a,6a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a,6a]C[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	109.4300	0.000	1	109.4300	0.000	1	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a]2)(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a]2)(H)2	H(NN[5a]H)	H(NN[5a]H)	110.3010	4.847	65	110.3010	23.498	65	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]C[5a]N[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]C[5a]N[5a])(H)2	H(NN[5a]H)	H(NN[5a]H)	108.7783	4.155	29	108.7783	17.265	29	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	N-3:	N-3:	N(N[5a]N[5a]2)(H)2	H(NN[5a]H)	H(NN[5a]H)	N(N[5a]N[5a]2)(H)2	H(NN[5a]H)	H(NN[5a]H)	111.5788	7.928	9	111.5788	62.860	9	110.0001	25.164	108	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[6]-3:H-1:H-1:	N-3:	N-3:	N(N[6]C[6,6]2)(H)2	H(NN[6]H)	H(NN[6]H)	N(N[6]C[6,6]2)(H)2	H(NN[6]H)	H(NN[6]H)	114.8100	0.000	1	114.8100	0.000	1	110.6324	33.063	12	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[6]-3:H-1:H-1:	N-3:	N-3:	N(N[6]C[6]2)(H)2	H(NN[6]H)	H(NN[6]H)	N(N[6]C[6]2)(H)2	H(NN[6]H)	H(NN[6]H)	110.2526	5.871	11	110.2526	34.466	11	110.6324	33.063	12	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	N[6a]-3:H-1:H-1:	N-3:	N-3:	N(N[6a]C[6a]2)(H)2	H(NN[6a]H)	H(NN[6a]H)	N(N[6a]C[6a]2)(H)2	H(NN[6a]H)	H(NN[6a]H)	110.9460	6.177	15	110.9460	38.161	15	110.9460	38.161	15	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	N-3:	N-3:	N(SCC)(H)2	H(NHS)	H(NHS)	N(SCC)(H)2	H(NHS)	H(NHS)	135.3240	0.000	1	135.3240	0.000	1	115.9275	61.390	10	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	N-3:	N-3:	N(SCO)(H)2	H(NHS)	H(NHS)	N(SCO)(H)2	H(NHS)	H(NHS)	116.3530	0.000	1	116.3530	0.000	1	115.9275	61.390	10	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	N-3:	N-3:	N(SC[6a]2)(H)2	H(NHS)	H(NHS)	N(SC[6a]2)(H)2	H(NHS)	H(NHS)	112.5543	3.453	3	112.5543	11.925	3	115.9275	61.390	10	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	N-3:	N-3:	N(SC[6a]O)(H)2	H(NHS)	H(NHS)	N(SC[6a]O)(H)2	H(NHS)	H(NHS)	113.9870	4.982	5	113.9870	24.824	5	115.9275	61.390	10	112.2346	41.857	2260	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	B-4:H-1:H-1:	N-3:	N-3:	N(BOsHS)(H)2	H(NBH)	H(NBH)	N(BOsHS)(H)2	H(NBH)	H(NBH)	109.7763	7.430	3	109.7763	55.202	3	109.7763	55.202	3	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC3)(H)2	H(NCH)	H(NCH)	N(CC3)(H)2	H(NCH)	H(NCH)	107.4862	5.363	19	107.4862	28.759	19	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CCCH)(H)2	H(NCH)	H(NCH)	N(CCCH)(H)2	H(NCH)	H(NCH)	108.1400	4.745	60	108.1400	22.519	60	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CCHH)(H)2	H(NCH)	H(NCH)	N(CCHH)(H)2	H(NCH)	H(NCH)	108.0792	5.845	179	108.0792	34.161	179	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[3x3,4,3x5,14x6]HH)(H)2	H(NCH)	H(NCH)	N(CC[3x3,4,3x5,14x6]HH)(H)2	H(NCH)	H(NCH)	106.1225	3.176	4	106.1225	10.087	4	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[5]CH)(H)2	H(NCH)	H(NCH)	N(CC[5]CH)(H)2	H(NCH)	H(NCH)	107.6710	0.000	1	107.6710	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[5]HH)(H)2	H(NCH)	H(NCH)	N(CC[5]HH)(H)2	H(NCH)	H(NCH)	97.0404	18.241	2	97.0404	332.748	2	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[5a]HH)(H)2	H(NCH)	H(NCH)	N(CC[5a]HH)(H)2	H(NCH)	H(NCH)	107.2835	2.661	2	107.2835	7.080	2	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6]HH)(H)2	H(NCH)	H(NCH)	N(CC[6]HH)(H)2	H(NCH)	H(NCH)	103.7490	0.000	1	103.7490	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]2C)(H)2	H(NCH)	H(NCH)	N(CC[6a]2C)(H)2	H(NCH)	H(NCH)	112.0515	8.934	2	112.0515	79.822	2	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]2H)(H)2	H(NCH)	H(NCH)	N(CC[6a]2H)(H)2	H(NCH)	H(NCH)	104.9600	0.000	1	104.9600	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]3)(H)2	H(NCH)	H(NCH)	N(CC[6a]3)(H)2	H(NCH)	H(NCH)	106.8005	2.297	11	106.8005	5.278	11	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]CC)(H)2	H(NCH)	H(NCH)	N(CC[6a]CC)(H)2	H(NCH)	H(NCH)	112.1260	0.000	1	112.1260	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]CH)(H)2	H(NCH)	H(NCH)	N(CC[6a]CH)(H)2	H(NCH)	H(NCH)	106.6938	5.758	21	106.6938	33.159	21	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]C[5]H)(H)2	H(NCH)	H(NCH)	N(CC[6a]C[5]H)(H)2	H(NCH)	H(NCH)	92.3822	0.000	1	92.3822	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CC[6a]HH)(H)2	H(NCH)	H(NCH)	N(CC[6a]HH)(H)2	H(NCH)	H(NCH)	108.4710	1.520	7	108.4710	2.311	7	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CH3)(H)2	H(NCH)	H(NCH)	N(CH3)(H)2	H(NCH)	H(NCH)	107.4717	2.239	16	107.4717	5.013	16	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CHHP)(H)2	H(NCH)	H(NCH)	N(CHHP)(H)2	H(NCH)	H(NCH)	105.4370	0.000	1	105.4370	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CN[3x6]HH)(H)2	H(NCH)	H(NCH)	N(CN[3x6]HH)(H)2	H(NCH)	H(NCH)	108.6980	0.000	1	108.6980	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(COOU)(H)2	H(NCH)	H(NCH)	N(COOU)(H)2	H(NCH)	H(NCH)	119.9370	0.000	1	119.9370	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	N-3:	N-3:	N(CRu2N)(H)2	H(NCH)	H(NCH)	N(CRu2N)(H)2	H(NCH)	H(NCH)	119.2990	0.000	1	119.2990	0.000	1	107.8390	30.489	332	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[3x6]-4:H-1:H-1:	N-3:	N-3:	N(C[3x6]C[6,6]3)(H)2	H(NC[3x6]H)	H(NC[3x6]H)	N(C[3x6]C[6,6]3)(H)2	H(NC[3x6]H)	H(NC[3x6]H)	110.2225	1.019	2	110.2225	1.038	2	110.2225	1.038	2	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[4]-4:H-1:H-1:	N-3:	N-3:	N(C[4]C[4]2C)(H)2	H(NC[4]H)	H(NC[4]H)	N(C[4]C[4]2C)(H)2	H(NC[4]H)	H(NC[4]H)	106.3910	0.000	1	106.3910	0.000	1	115.8546	55.702	5	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[4]-4:H-1:H-1:	N-3:	N-3:	N(C[4]C[4]2H)(H)2	H(NC[4]H)	H(NC[4]H)	N(C[4]C[4]2H)(H)2	H(NC[4]H)	H(NC[4]H)	118.2205	6.079	4	118.2205	36.952	4	115.8546	55.702	5	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,3x6]-4:H-1:H-1:	N-3:	N-3:	N(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)2	H(NC[5,3x6]H)	H(NC[5,3x6]H)	N(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)2	H(NC[5,3x6]H)	H(NC[5,3x6]H)	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,5]-4:H-1:H-1:	N-3:	N-3:	N(C[5,5]C[5,5]N[5]2)(H)2	H(NC[5,5]H)	H(NC[5,5]H)	N(C[5,5]C[5,5]N[5]2)(H)2	H(NC[5,5]H)	H(NC[5,5]H)	106.7895	2.522	2	106.7895	6.362	2	108.8977	7.097	6	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,5]-4:H-1:H-1:	N-3:	N-3:	N(C[5,5]C[5,6a]C[3x5]N[5])(H)2	H(NC[5,5]H)	H(NC[5,5]H)	N(C[5,5]C[5,6a]C[3x5]N[5])(H)2	H(NC[5,5]H)	H(NC[5,5]H)	111.7485	1.329	2	111.7485	1.765	2	108.8977	7.097	6	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,5]-4:H-1:H-1:	N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]C[5])(H)2	H(NC[5,5]H)	H(NC[5,5]H)	N(C[5,5]C[5,6a]C[5,5]C[5])(H)2	H(NC[5,5]H)	H(NC[5,5]H)	107.4090	0.000	1	107.4090	0.000	1	108.8977	7.097	6	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,5]-4:H-1:H-1:	N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]N[5])(H)2	H(NC[5,5]H)	H(NC[5,5]H)	N(C[5,5]C[5,6a]C[5,5]N[5])(H)2	H(NC[5,5]H)	H(NC[5,5]H)	108.9010	0.000	1	108.9010	0.000	1	108.8977	7.097	6	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	N-3:	N-3:	N(C[5,6]C[5,5,6]C[5,6]H)(H)2	H(NC[5,6]H)	H(NC[5,6]H)	N(C[5,6]C[5,5,6]C[5,6]H)(H)2	H(NC[5,6]H)	H(NC[5,6]H)	100.3280	0.000	1	100.3280	0.000	1	106.7985	24.770	4	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	N-3:	N-3:	N(C[5,6]C[5,6]C[6]N[5])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	N(C[5,6]C[5,6]C[6]N[5])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	112.0990	0.000	1	112.0990	0.000	1	106.7985	24.770	4	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	N-3:	N-3:	N(C[5,6]C[5,6a]C[5,6]C[6])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	N(C[5,6]C[5,6a]C[5,6]C[6])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	106.0300	0.000	1	106.0300	0.000	1	106.7985	24.770	4	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	N-3:	N-3:	N(C[5,6]C[6,6a]O[5,6]O[5])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	N(C[5,6]C[6,6a]O[5,6]O[5])(H)2	H(NC[5,6]H)	H(NC[5,6]H)	108.7370	0.000	1	108.7370	0.000	1	106.7985	24.770	4	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,5]C[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,5]C[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	101.3450	0.000	1	101.3450	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6]C[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6]C[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	107.7061	21.947	2	107.7061	481.673	2	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6]C[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6]C[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	107.0573	5.345	3	107.0573	28.569	3	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6a]C[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6a]C[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	109.2215	3.862	2	109.2215	14.911	2	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5,6a]C[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5,6a]C[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	110.6940	0.000	1	110.6940	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2C)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2C)(H)2	H(NC[5]H)	H(NC[5]H)	109.4455	0.018	2	109.4455	0.000	2	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2Co)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2Co)(H)2	H(NC[5]H)	H(NC[5]H)	124.4960	0.000	1	124.4960	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2Fe)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2Fe)(H)2	H(NC[5]H)	H(NC[5]H)	107.8801	3.852	7	107.8801	14.840	7	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2H)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2H)(H)2	H(NC[5]H)	H(NC[5]H)	110.0644	2.333	5	110.0644	5.444	5	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]2Mn)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]2Mn)(H)2	H(NC[5]H)	H(NC[5]H)	119.9820	0.000	1	119.9820	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]N[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]N[5]H)(H)2	H(NC[5]H)	H(NC[5]H)	108.2060	0.000	1	108.2060	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]C[5]O[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]C[5]O[5]C)(H)2	H(NC[5]H)	H(NC[5]H)	112.8770	0.000	1	112.8770	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]N[5]2H)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]N[5]2H)(H)2	H(NC[5]H)	H(NC[5]H)	119.9815	0.043	2	119.9815	0.002	2	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	N-3:	N-3:	N(C[5]O[5]2C)(H)2	H(NC[5]H)	H(NC[5]H)	N(C[5]O[5]2C)(H)2	H(NC[5]H)	H(NC[5]H)	109.3960	0.000	1	109.3960	0.000	1	110.2120	45.837	30	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6,6]-4:H-1:H-1:	N-3:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(H)2	H(NC[6,6]H)	H(NC[6,6]H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	H(NC[6,6]H)	H(NC[6,6]H)	108.6137	3.883	6	108.6137	15.080	6	108.8963	28.756	18	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6,6]-4:H-1:H-1:	N-3:	N-3:	N(C[6,6]C[6,6]O[6]2)(H)2	H(NC[6,6]H)	H(NC[6,6]H)	N(C[6,6]C[6,6]O[6]2)(H)2	H(NC[6,6]H)	H(NC[6,6]H)	110.8020	6.722	3	110.8020	45.191	3	108.8963	28.756	18	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6,6]-4:H-1:H-1:	N-3:	N-3:	N(C[6,6]C[6,6a]C[6,6]C[6])(H)2	H(NC[6,6]H)	H(NC[6,6]H)	N(C[6,6]C[6,6a]C[6,6]C[6])(H)2	H(NC[6,6]H)	H(NC[6,6]H)	108.8828	6.507	8	108.8828	42.341	8	108.8963	28.756	18	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6,6]-4:H-1:H-1:	N-3:	N-3:	N(C[6,6]O[6,6]C[6]2)(H)2	H(NC[6,6]H)	H(NC[6,6]H)	N(C[6,6]O[6,6]C[6]2)(H)2	H(NC[6,6]H)	H(NC[6,6]H)	104.9830	0.000	1	104.9830	0.000	1	108.8963	28.756	18	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6]C[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6]C[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	111.7390	0.000	1	111.7390	0.000	1	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]C[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]C[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	100.8480	0.000	1	100.8480	0.000	1	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6,6a]C[6a]O[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6,6a]C[6a]O[6])(H)2	H(NC[6]H)	H(NC[6]H)	110.1730	0.000	1	110.1730	0.000	1	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2C)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2C)(H)2	H(NC[6]H)	H(NC[6]H)	108.4200	3.812	3	108.4200	14.530	3	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2Cr)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2Cr)(H)2	H(NC[6]H)	H(NC[6]H)	115.6188	3.152	4	115.6188	9.936	4	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2H)(H)2	H(NC[6]H)	H(NC[6]H)	108.1755	5.604	37	108.1755	31.400	37	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2Ru)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2Ru)(H)2	H(NC[6]H)	H(NC[6]H)	119.2730	0.000	1	119.2730	0.000	1	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]2Tc)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]2Tc)(H)2	H(NC[6]H)	H(NC[6]H)	119.9660	0.000	1	119.9660	0.000	1	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6]O[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6]O[6]H)(H)2	H(NC[6]H)	H(NC[6]H)	116.7897	6.431	4	116.7897	41.355	4	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6a]C[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6a]C[6]2)(H)2	H(NC[6]H)	H(NC[6]H)	107.6667	2.589	10	107.6667	6.705	10	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]C[6a]C[6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]C[6a]C[6]N[6])(H)2	H(NC[6]H)	H(NC[6]H)	108.9700	0.454	2	108.9700	0.206	2	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	N-3:	N-3:	N(C[6]N[6]2H)(H)2	H(NC[6]H)	H(NC[6]H)	N(C[6]N[6]2H)(H)2	H(NC[6]H)	H(NC[6]H)	115.2310	0.000	1	115.2310	0.000	1	109.5337	33.183	66	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Ge-4:H-1:H-1:	N-3:	N-3:	N(GeC[6a]2H)(H)2	H(NGeH)	H(NGeH)	N(GeC[6a]2H)(H)2	H(NGeH)	H(NGeH)	107.7280	0.000	1	107.7280	0.000	1	107.7280	0.000	1	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NBHH)(H)2	H(NHN)	H(NHN)	N(NBHH)(H)2	H(NHN)	H(NHN)	105.3158	5.197	5	105.3158	27.005	5	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NB[6,6]HH)(H)2	H(NHN)	H(NHN)	N(NB[6,6]HH)(H)2	H(NHN)	H(NHN)	106.3365	3.166	4	106.3365	10.023	4	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NC3)(H)2	H(NHN)	H(NHN)	N(NC3)(H)2	H(NHN)	H(NHN)	101.9950	2.424	6	101.9950	5.874	6	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NCCH)(H)2	H(NHN)	H(NHN)	N(NCCH)(H)2	H(NHN)	H(NHN)	109.7464	2.114	5	109.7464	4.471	5	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NCHH)(H)2	H(NHN)	H(NHN)	N(NCHH)(H)2	H(NHN)	H(NHN)	108.1100	1.534	22	108.1100	2.355	22	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NC[6]HH)(H)2	H(NHN)	H(NHN)	N(NC[6]HH)(H)2	H(NHN)	H(NHN)	109.8560	0.000	1	109.8560	0.000	1	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NFeHH)(H)2	H(NHN)	H(NHN)	N(NFeHH)(H)2	H(NHN)	H(NHN)	110.7310	0.000	1	110.7310	0.000	1	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NH3)(H)2	H(NHN)	H(NHN)	N(NH3)(H)2	H(NHN)	H(NHN)	107.5988	4.445	110	107.5988	19.762	110	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NIrHH)(H)2	H(NHN)	H(NHN)	N(NIrHH)(H)2	H(NHN)	H(NHN)	108.1615	1.944	2	108.1615	3.779	2	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	N-3:	N-3:	N(NRuHH)(H)2	H(NHN)	H(NHN)	N(NRuHH)(H)2	H(NHN)	H(NHN)	108.5976	2.924	7	108.5976	8.548	7	107.5092	16.758	163	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	N[6]-4:H-1:H-1:	N-3:	N-3:	N(N[6]C[6,6]C[6]C)(H)2	H(NN[6]H)	H(NN[6]H)	N(N[6]C[6,6]C[6]C)(H)2	H(NN[6]H)	H(NN[6]H)	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PBCC)(H)2	H(NHP)	H(NHP)	N(PBCC)(H)2	H(NHP)	H(NHP)	116.0070	0.000	1	116.0070	0.000	1	115.0943	12.480	8	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PC[6a]2C)(H)2	H(NHP)	H(NHP)	N(PC[6a]2C)(H)2	H(NHP)	H(NHP)	114.3560	0.000	1	114.3560	0.000	1	115.0943	12.480	8	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PC[6a]2O)(H)2	H(NHP)	H(NHP)	N(PC[6a]2O)(H)2	H(NHP)	H(NHP)	112.3680	2.976	3	112.3680	8.857	3	115.0943	12.480	8	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PC[6a]3)(H)2	H(NHP)	H(NHP)	N(PC[6a]3)(H)2	H(NHP)	H(NHP)	116.3460	3.547	2	116.3460	12.580	2	115.0943	12.480	8	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	N-3:	N-3:	N(PC[6a]CO)(H)2	H(NHP)	H(NHP)	N(PC[6a]CO)(H)2	H(NHP)	H(NHP)	120.5950	0.000	1	120.5950	0.000	1	115.0943	12.480	8	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P[6]-4:H-1:H-1:	N-3:	N-3:	N(P[6]N[6]2N)(H)2	H(NP[6]H)	H(NP[6]H)	N(P[6]N[6]2N)(H)2	H(NP[6]H)	H(NP[6]H)	110.1630	0.000	1	110.1630	0.000	1	114.0060	29.537	2	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	P[6]-4:H-1:H-1:	N-3:	N-3:	N(P[6]O[6]2Se)(H)2	H(NP[6]H)	H(NP[6]H)	N(P[6]O[6]2Se)(H)2	H(NP[6]H)	H(NP[6]H)	117.8490	0.000	1	117.8490	0.000	1	114.0060	29.537	2	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SCOO)(H)2	H(NHS)	H(NHS)	N(SCOO)(H)2	H(NHS)	H(NHS)	114.5595	4.475	4	114.5595	20.022	4	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[5]OO)(H)2	H(NHS)	H(NHS)	N(SC[5]OO)(H)2	H(NHS)	H(NHS)	119.9280	0.000	1	119.9280	0.000	1	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[5a]OO)(H)2	H(NHS)	H(NHS)	N(SC[5a]OO)(H)2	H(NHS)	H(NHS)	117.1204	4.317	32	117.1204	18.640	32	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[6]OO)(H)2	H(NHS)	H(NHS)	N(SC[6]OO)(H)2	H(NHS)	H(NHS)	109.4690	0.000	1	109.4690	0.000	1	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SC[6a]OO)(H)2	H(NHS)	H(NHS)	N(SC[6a]OO)(H)2	H(NHS)	H(NHS)	116.2457	4.882	212	116.2457	23.836	212	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SNOO)(H)2	H(NHS)	H(NHS)	N(SNOO)(H)2	H(NHS)	H(NHS)	111.3855	10.917	2	111.3855	119.181	2	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SN[6]OO)(H)2	H(NHS)	H(NHS)	N(SN[6]OO)(H)2	H(NHS)	H(NHS)	124.7720	1.967	3	124.7720	3.868	3	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	N-3:	N-3:	N(SO3)(H)2	H(NHS)	H(NHS)	N(SO3)(H)2	H(NHS)	H(NHS)	114.4409	5.074	10	114.4409	25.743	10	116.3059	24.311	265	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	N-3:	N-3:	N(SiC[6a]SiN)(H)2	H(NSiH)	H(NSiH)	N(SiC[6a]SiN)(H)2	H(NSiH)	H(NSiH)	113.7910	0.000	1	113.7910	0.000	1	115.3655	4.958	2	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	N-3:	N-3:	N(SiSiHN)(H)2	H(NSiH)	H(NSiH)	N(SiSiHN)(H)2	H(NSiH)	H(NSiH)	116.9400	0.000	1	116.9400	0.000	1	115.3655	4.958	2	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si[6]-4:H-1:H-1:	N-3:	N-3:	N(Si[6]N[6]2Br)(H)2	H(NSi[6]H)	H(NSi[6]H)	N(Si[6]N[6]2Br)(H)2	H(NSi[6]H)	H(NSi[6]H)	110.8500	0.000	1	110.8500	0.000	1	113.3640	5.581	3	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	4:1:1:	3:	3:	Si[6]-4:H-1:H-1:	N-3:	N-3:	N(Si[6]N[6]2N)(H)2	H(NSi[6]H)	H(NSi[6]H)	N(Si[6]N[6]2N)(H)2	H(NSi[6]H)	H(NSi[6]H)	114.6210	1.297	2	114.6210	1.682	2	113.3640	5.581	3	110.6346	40.739	912	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	5:1:1:	3:	3:	C[3x3,4,3x5,14x6]-5:H-1:H-1:	N-3:	N-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)2	H(NC[3x3,4,3x5,14x6]H)	H(NC[3x3,4,3x5,14x6]H)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)2	H(NC[3x3,4,3x5,14x6]H)	H(NC[3x3,4,3x5,14x6]H)	110.2250	10.508	2	110.2250	110.410	2	110.2250	110.410	2	112.3358	55.659	4	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	5:1:1:	3:	3:	Si[3,3]-5:H-1:H-1:	N-3:	N-3:	N(Si[3,3]Si[3,3]N[3]2Cl)(H)2	H(NSi[3,3]H)	H(NSi[3,3]H)	N(Si[3,3]Si[3,3]N[3]2Cl)(H)2	H(NSi[3,3]H)	H(NSi[3,3]H)	114.4465	6.225	2	114.4465	38.746	2	114.4465	38.746	2	112.3358	55.659	4	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:	3:	3:	C[5x3,5x5,20x6]-6:H-1:H-1:	N-3:	N-3:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)2	H(NC[5x3,5x5,20x6]H)	H(NC[5x3,5x5,20x6]H)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)2	H(NC[5x3,5x5,20x6]H)	H(NC[5x3,5x5,20x6]H)	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	108.1083	0.580	3	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:	3:	3:	Ga-6:H-1:H-1:	N-3:	N-3:	N(GaClN4)(H)2	H(NGaH)	H(NGaH)	N(GaClN4)(H)2	H(NGaH)	H(NGaH)	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.1083	0.580	3	111.2961	51.155	3587	111.2961	51.155	3587
956	951	951	0:SP3_SP-NON_SP-NON	N	H	H	6:1:1:	3:	3:	Ge-6:H-1:H-1:	N-3:	N-3:	N(GeN5)(H)2	H(NGeH)	H(NGeH)	N(GeN5)(H)2	H(NGeH)	H(NGeH)	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	108.1083	0.580	3	111.2961	51.155	3587	111.2961	51.155	3587
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:1:1:1:	C-3:S-4:H-1:	N-3:	N-3:Cl-1:O-1:O-1:	N(CC[6a]N)(SClOO)(H)	H(NCS)	S(NCH)(Cl)(O)2	N(CC[6a]N)(SClOO)(H)	H(NCS)	S(NCH)(Cl)(O)2	122.6120	0.000	1	122.6120	0.000	1	122.6120	0.000	1	121.7057	13.151	3	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:1:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:F-1:O-1:O-1:	N(C[6a]C[6a]2)(SFOO)(H)	H(NC[6a]S)	S(NC[6a]H)(F)(O)2	N(C[6a]C[6a]2)(SFOO)(H)	H(NC[6a]S)	S(NC[6a]H)(F)(O)2	121.2525	5.007	2	121.2525	25.070	2	121.2525	25.070	2	121.7057	13.151	3	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:2:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)(NC[6a])(O)2	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)(NC[6a])(O)2	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]C[5])(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]C[5])(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	108.7030	0.000	1	108.7030	0.000	1	112.9740	36.483	2	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.2450	0.000	1	117.2450	0.000	1	112.9740	36.483	2	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CC[6a]O)(SNOO)(H)	H(NCS)	S(NCC)(NCH)(O)2	N(CC[6a]O)(SNOO)(H)	H(NCS)	S(NCC)(NCH)(O)2	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]N[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]N[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	118.2000	0.000	1	118.2000	0.000	1	118.3565	0.049	2	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]N[5]2)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]N[5]2)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	118.5130	0.000	1	118.5130	0.000	1	118.3565	0.049	2	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a,6a]C[6a])(NC[5a]H)(O)2	N(C[5a]C[5a,6]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a,6a]C[6a])(NC[5a]H)(O)2	114.4230	0.000	1	114.4230	0.000	1	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	113.4560	5.970	3	113.4560	35.646	3	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6a]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a,6a]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	111.0690	0.000	1	111.0690	0.000	1	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a,6a]C[6a])(NC[5a]H)(O)2	N(C[5a]C[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a,6a]C[6a])(NC[5a]H)(O)2	119.3440	0.000	1	119.3440	0.000	1	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	116.3892	3.971	6	116.3892	15.767	6	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	117.7150	2.596	26	117.7150	6.741	26	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	113.9160	0.000	1	113.9160	0.000	1	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]N[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]N[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	118.4470	0.062	2	118.4470	0.004	2	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]N[5a]S[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]N[5a]S[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	118.9340	0.000	1	118.9340	0.000	1	116.9970	10.649	42	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	114.4426	2.736	7	114.4426	7.487	7	114.7116	11.903	21	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]N[6])(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]N[6])(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	113.8043	4.558	7	113.8043	20.771	7	114.7116	11.903	21	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]N[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]N[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	115.8879	2.960	7	115.8879	8.760	7	114.7116	11.903	21	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	H(NC[6a]S)	S(C[5a]C[5a]S[5a])(NC[6a]H)(O)2	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	H(NC[6a]S)	S(C[5a]C[5a]S[5a])(NC[6a]H)(O)2	118.3990	1.017	2	118.3990	1.034	2	116.7943	8.242	3	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[5a]OO)(H)	H(NC[6a]S)	S(C[5a]C[5a]S[5a])(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SC[5a]OO)(H)	H(NC[6a]S)	S(C[5a]C[5a]S[5a])(NC[6a]H)(O)2	113.5850	0.000	1	113.5850	0.000	1	116.7943	8.242	3	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	111.7297	1.113	4	111.7297	1.240	4	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	117.0678	4.404	5	117.0678	19.395	5	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	117.8115	0.456	2	117.8115	0.208	2	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	116.7588	1.206	16	116.7588	1.455	16	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	117.0998	2.700	10	117.0998	7.288	10	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)2	115.6204	2.505	5	115.6204	6.273	5	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	114.3707	3.949	256	114.3707	15.591	256	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)2	119.9210	0.000	1	119.9210	0.000	1	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	114.2332	2.636	16	114.2332	6.950	16	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]N[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	114.0921	2.991	82	114.0921	8.947	82	114.5270	13.354	397	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)(NCH)(O)2	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)(NCH)(O)2	115.7060	0.595	2	115.7060	0.354	2	114.3740	5.500	3	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)2(O)2	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)2(O)2	111.7100	0.000	1	111.7100	0.000	1	114.3740	5.500	3	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	N[5]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SN[5]OO)(H)	H(NC[6a]S)	S(N[5]C[5]2)(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SN[5]OO)(H)	H(NC[6a]S)	S(N[5]C[5]2)(NC[6a]H)(O)2	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[5,5]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	H(NN[5,5]S)	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	H(NN[5,5]S)	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	121.1960	0.000	3	121.1960	0.000	3	121.1960	0.000	3	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[5,6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	H(NN[5,6]S)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	H(NN[5,6]S)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	122.6490	0.260	6	122.6490	0.067	6	122.6490	0.067	6	114.9188	14.183	481	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[5]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5]C[5]N[5])(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CH3)(O)2	N(C[5]C[5]N[5])(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CH3)(O)2	118.8700	0.000	1	118.8700	0.000	1	118.8700	0.000	1	113.8039	20.058	24	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CCHH)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CCHH)(O)2	112.4587	2.931	3	112.4587	8.591	3	113.5837	19.753	23	113.8039	20.058	24	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CF3)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CF3)(O)2	118.1255	0.166	2	118.1255	0.028	2	113.5837	19.753	23	113.8039	20.058	24	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CH3)(O)2	113.2665	4.668	18	113.2665	21.793	18	113.5837	19.753	23	113.8039	20.058	24	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	B-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(BC[6a]2)(SCOO)(H)	H(NBS)	S(CH3)(NBH)(O)2	N(BC[6a]2)(SCOO)(H)	H(NBS)	S(CH3)(NBH)(O)2	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	117.3124	2.628	16	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]O)(SCOO)(H)	H(NCS)	S(CCCH)(NCH)(O)2	N(CC[6a]O)(SCOO)(H)	H(NCS)	S(CCCH)(NCH)(O)2	114.2650	0.000	1	114.2650	0.000	1	117.6827	2.486	7	117.3124	2.628	16	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]O)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(CC[6a]O)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	118.2523	0.507	6	118.2523	0.257	6	117.6827	2.486	7	117.3124	2.628	16	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(CC[5,5,6]HH)(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(CC[5,5,6]HH)(NC[6a]H)(O)2	117.8273	1.338	6	117.8273	1.789	6	117.3450	3.120	7	117.3124	2.628	16	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(CC[5a]HH)(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(CC[5a]HH)(NC[6a]H)(O)2	114.4510	0.000	1	114.4510	0.000	1	117.3450	3.120	7	117.3124	2.628	16	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	N[6]-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(N[6]C[6]2)(SCOO)(H)	H(NN[6]S)	S(CC[5]HH)(NN[6]H)(O)2	N(N[6]C[6]2)(SCOO)(H)	H(NN[6]S)	S(CC[5]HH)(NN[6]H)(O)2	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	117.3124	2.628	16	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5]-3:N-3:O-1:O-1:	N(SC[5]OO)(H)2	H(NHS)	S(C[5]N[5]S[5])(NHH)(O)2	N(SC[5]OO)(H)2	H(NHS)	S(C[5]N[5]S[5])(NHH)(O)2	120.0065	0.057	2	120.0065	0.003	2	120.0065	0.003	2	117.5579	4.036	28	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]N[5a]S[5a])(NHH)(O)2	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]N[5a]S[5a])(NHH)(O)2	115.6780	1.685	4	115.6780	2.840	4	115.6780	2.840	4	117.5579	4.036	28	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a]2)(NHH)(O)2	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a]2)(NHH)(O)2	117.6771	1.877	22	117.6771	3.525	22	117.6771	3.525	22	117.5579	4.036	28	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	122.5880	0.000	1	122.5880	0.000	1	116.0310	40.531	59	116.0310	40.531	59	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	116.9665	5.793	48	116.9665	33.559	48	116.0310	40.531	59	116.0310	40.531	59	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	109.0199	6.948	6	109.0199	48.275	6	116.0310	40.531	59	116.0310	40.531	59	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[6])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[6])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	113.6815	6.587	4	113.6815	43.388	4	116.0310	40.531	59	116.0310	40.531	59	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:2:1:	3:	4:3:1:1:	S-4:N-2:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(NC)(H)	H(NNS)	S(C[5]C[5]2Fe)(NHN)(O)2	N(SC[5]OO)(NC)(H)	H(NNS)	S(C[5]C[5]2Fe)(NHN)(O)2	112.3955	0.004	2	112.3955	0.000	2	112.3955	0.000	2	112.3955	0.000	2	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	2:3:1:1:	S-4:C-3:H-1:	N-3:	O-2:N-3:O-1:O-1:	N(SO3)(CCO)(H)	H(NCS)	S(OC[6a])(NCH)(O)2	N(SO3)(CCO)(H)	H(NCS)	S(OC[6a])(NCH)(O)2	117.3310	0.000	1	117.3310	0.000	1	116.2970	2.138	2	116.2970	2.138	2	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	2:3:1:1:	S-4:C-3:H-1:	N-3:	O-2:N-3:O-1:O-1:	N(SO3)(CCS)(H)	H(NCS)	S(OC[6a])(NCH)(O)2	N(SO3)(CCS)(H)	H(NCS)	S(OC[6a])(NCH)(O)2	115.2630	0.000	1	115.2630	0.000	1	116.2970	2.138	2	116.2970	2.138	2	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:2:1:1:	S-4:C-3:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(SO3)(CCC)(H)	H(NCS)	S(NCH)(OC)(O)2	N(SO3)(CCC)(H)	H(NCS)	S(NCH)(OC)(O)2	115.1180	0.000	1	115.1180	0.000	1	115.1180	0.000	1	115.1180	0.000	1	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:B-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(BC[6a]2)(H)	H(NBS)	S(C[6a]C[6a]2)(NBH)(O)2	N(SC[6a]OO)(BC[6a]2)(H)	H(NBS)	S(C[6a]C[6a]2)(NBH)(O)2	116.2960	0.066	2	116.2960	0.004	2	116.2960	0.004	2	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(CNO)(H)	H(NCS)	S(C[5a]C[5a]N[5a])(NCH)(O)2	N(SC[5a]OO)(CNO)(H)	H(NCS)	S(C[5a]C[5a]N[5a])(NCH)(O)2	118.1983	0.628	4	118.1983	0.394	4	118.1983	0.394	4	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.0722	3.430	4	118.0722	11.765	4	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	119.5808	0.940	5	119.5808	0.883	5	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	115.6673	2.612	48	115.6673	6.822	48	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCS)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCS)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	115.6700	0.000	1	115.6700	0.000	1	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	113.1730	1.106	2	113.1730	1.223	2	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]H)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]H)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.4360	0.000	1	118.4360	0.000	1	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5a]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5a]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	111.0520	0.000	1	111.0520	0.000	1	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.5490	1.307	3	112.5490	1.708	3	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]N)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]N)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.1600	0.000	1	117.1600	0.000	1	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.1816	3.037	56	114.1816	9.226	56	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.3768	2.233	72	117.3768	4.987	72	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	119.5966	0.618	5	119.5966	0.382	5	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CN[5]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CN[5]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.2117	0.548	3	118.2117	0.300	3	116.0715	8.945	202	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(SNOO)(CNO)(H)	H(NCS)	S(NC[6a]H)(NCH)(O)2	N(SNOO)(CNO)(H)	H(NCS)	S(NC[6a]H)(NCH)(O)2	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	N[5]-3:N-3:O-1:O-1:	N(SN[5]OO)(CN[5]O)(H)	H(NCS)	S(N[5]C[5]2)(NCH)(O)2	N(SN[5]OO)(CN[5]O)(H)	H(NCS)	S(N[5]C[5]2)(NCH)(O)2	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NCH)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	121.5570	0.000	1	121.5570	0.000	1	121.8685	0.194	2	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[6a]H)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[6a]H)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	122.1800	0.000	1	122.1800	0.000	1	121.8685	0.194	2	116.1922	8.978	212	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	4:3:1:1:	S-4:C-3:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CCH)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(SCOO)(CCH)(H)	H(NCS)	S(CH3)(NCH)(O)2	114.5150	0.506	2	114.5150	0.256	2	115.2797	1.882	3	115.2797	1.882	3	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:3:1:	3:	4:3:1:1:	S-4:C-3:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CNO)(H)	H(NCS)	S(CC[6a]HH)(NCH)(O)2	N(SCOO)(CNO)(H)	H(NCS)	S(CC[6a]HH)(NCH)(O)2	116.8090	0.000	1	116.8090	0.000	1	115.2797	1.882	3	115.2797	1.882	3	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	2:3:1:1:	C-4:S-4:H-1:	N-3:	O-2:N-3:O-1:O-1:	N(CCCH)(SO3)(H)	H(NCS)	S(OC[6a])(NCH)(O)2	N(CCCH)(SO3)(H)	H(NCS)	S(OC[6a])(NCH)(O)2	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(CCCH)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	N(CCCH)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	122.2460	0.000	1	122.2460	0.000	1	112.0110	209.510	2	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(CHHN)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	N(CHHN)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	101.7760	0.000	1	101.7760	0.000	1	112.0110	209.510	2	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[3]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[3]C[3]2O)(SO3)(H)	H(NC[3]S)	S(NC[3]H)(OC)(O)2	N(C[3]C[3]2O)(SO3)(H)	H(NC[3]S)	S(NC[3]H)(OC)(O)2	118.3380	0.000	1	118.3380	0.000	1	118.3380	0.000	1	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[5]C[5]2H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	N(C[5]C[5]2H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	117.5730	0.000	1	117.5730	0.000	1	118.1630	0.696	2	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[5]C[5]O[5]H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	N(C[5]C[5]O[5]H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	118.7530	0.000	1	118.7530	0.000	1	118.1630	0.696	2	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[6]C[3,6]C[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	N(C[6]C[3,6]C[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	113.0080	0.000	1	113.0080	0.000	1	114.9930	7.880	2	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	N(C[6]C[6,6a]C[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	116.9780	0.000	1	116.9780	0.000	1	114.9930	7.880	2	115.5246	44.197	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5,5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5,5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	120.0770	0.000	1	120.0770	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5]C[6]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5]C[6]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.7180	0.000	1	112.7180	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.3155	2.164	2	116.3155	4.685	2	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]C[6a]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]C[6a]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.7325	0.805	2	118.7325	0.649	2	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]2C)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]2C)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.8145	0.196	2	116.8145	0.038	2	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]2H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]2H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.5550	0.000	1	118.5550	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CC)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]CC)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.4120	0.000	1	114.4120	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CC)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(CC[6a]CC)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	116.6640	0.000	1	116.6640	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	119.4103	3.421	29	119.4103	11.704	29	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[5]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[5]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	119.5431	0.807	10	119.5431	0.652	10	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[6]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[6]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.0720	0.000	1	114.0720	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6,6a]C[6a])(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6,6a]C[6a])(NCH)(O)2	120.6910	0.000	1	120.6910	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	119.2727	1.578	3	119.2727	2.491	3	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]S[6a])(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]S[6a])(NCH)(O)2	119.9860	0.000	1	119.9860	0.000	1	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HP)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]HP)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	119.4047	0.917	3	119.4047	0.841	3	118.9027	8.158	59	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CCCH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	N(CCCH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	119.7150	0.000	1	119.7150	0.000	1	119.5757	2.298	4	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CCHH)(SNOO)(H)	H(NCS)	S(NCC)(NCH)(O)2	N(CCHH)(SNOO)(H)	H(NCS)	S(NCC)(NCH)(O)2	117.4660	0.000	1	117.4660	0.000	1	119.5757	2.298	4	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CC[6a]HH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	N(CC[6a]HH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	120.5610	0.694	2	120.5610	0.482	2	119.5757	2.298	4	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[3x6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	H(NC[3x6]S)	S(C[6a]C[6a]2)(NC[3x6]H)(O)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	H(NC[3x6]S)	S(C[6a]C[6a]2)(NC[3x6]H)(O)2	114.7731	1.696	10	114.7731	2.878	10	114.7731	2.878	10	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[4]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	121.0940	0.000	1	121.0940	0.000	1	117.8025	6.995	4	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[4]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[4]C[4]2C)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	N(C[4]C[4]2C)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	116.7053	1.808	3	116.7053	3.270	3	117.8025	6.995	4	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5,6]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5,6]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	112.9440	0.000	1	112.9440	0.000	1	116.8011	4.427	14	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	118.3550	0.000	1	118.3550	0.000	1	116.8011	4.427	14	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	116.1420	1.731	2	116.1420	2.996	2	116.8011	4.427	14	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]2H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]2H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	117.3133	2.033	9	117.3133	4.132	9	116.8011	4.427	14	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]O[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]O[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	115.8120	0.000	1	115.8120	0.000	1	116.8011	4.427	14	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	116.1240	0.000	1	116.1240	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	119.4510	0.000	1	119.4510	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	116.7350	0.000	1	116.7350	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	116.6520	0.000	1	116.6520	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	117.9470	0.000	1	117.9470	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	114.1360	0.000	1	114.1360	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	116.7985	0.224	2	116.7985	0.050	2	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	117.3066	2.027	12	117.3066	4.107	12	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6a]C[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6a]C[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	113.9540	0.000	1	113.9540	0.000	1	116.9655	3.588	21	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	P-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(PC[6a]2Ir)(SC[6a]OO)(H)	H(NPS)	S(C[6a]C[6a]2)(NHP)(O)2	N(PC[6a]2Ir)(SC[6a]OO)(H)	H(NPS)	S(C[6a]C[6a]2)(NHP)(O)2	113.5820	0.000	1	113.5820	0.000	1	113.6800	0.019	2	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	P-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(PC[6a]CO)(SC[6a]OO)(H)	H(NPS)	S(C[6a]C[6a]2)(NHP)(O)2	N(PC[6a]CO)(SC[6a]OO)(H)	H(NPS)	S(C[6a]C[6a]2)(NHP)(O)2	113.7780	0.000	1	113.7780	0.000	1	113.6800	0.019	2	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC3)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC3)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.4635	1.286	11	116.4635	1.654	11	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.3250	2.985	42	117.3250	8.909	42	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	118.6680	0.000	1	118.6680	0.000	1	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	115.0127	2.114	3	115.0127	4.470	3	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.7534	2.840	28	118.7534	8.065	28	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	114.2850	0.000	1	114.2850	0.000	1	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCHP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.0825	0.209	2	118.0825	0.044	2	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[3]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[3]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.8605	0.218	2	117.8605	0.048	2	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.0975	1.416	2	118.0975	2.006	2	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	120.6470	0.000	1	120.6470	0.000	1	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]HP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]HP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.1610	0.000	1	118.1610	0.000	1	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]2H)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6]2H)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	120.5250	0.000	1	120.5250	0.000	1	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.7645	1.341	2	112.7645	1.799	2	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CHHN)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CHHN)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.7712	0.365	4	118.7712	0.133	4	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CSiCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CSiCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	119.7360	0.000	1	119.7360	0.000	1	117.6431	7.678	102	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(H)	H(NSS)	S(C[6a]C[6a]2)(NHS)(O)2	N(SC[6a]OO)2(H)	H(NSS)	S(C[6a]C[6a]2)(NHS)(O)2	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(SCOO)(SNOO)(H)	H(NSS)	S(NHS)2(O)2	N(SCOO)(SNOO)(H)	H(NSS)	S(NHS)2(O)2	117.8070	0.810	2	117.8070	0.657	2	117.8070	0.657	2	117.7274	7.691	219	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5]C[3,5]C[5]H)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CC3)(O)2	N(C[5]C[3,5]C[5]H)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CC3)(O)2	114.5515	0.914	2	114.5515	0.836	2	117.3173	10.861	4	117.5146	6.649	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5]C[5,6a]C[6a]C[5])(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CC3)(O)2	N(C[5]C[5,6a]C[6a]C[5])(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CC3)(O)2	120.0830	1.072	2	120.0830	1.149	2	117.3173	10.861	4	117.5146	6.649	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6]C[6]2H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CCHH)(O)2	N(C[6]C[6]2H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CCHH)(O)2	119.0210	0.000	1	119.0210	0.000	1	117.7777	3.473	3	117.5146	6.649	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6]C[6]2H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CH3)(O)2	N(C[6]C[6]2H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CH3)(O)2	118.6770	0.000	1	118.6770	0.000	1	117.7777	3.473	3	117.5146	6.649	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6]C[6]O[6]H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CH3)(O)2	N(C[6]C[6]O[6]H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CH3)(O)2	115.6350	0.000	1	115.6350	0.000	1	117.7777	3.473	3	117.5146	6.649	7	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCCH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CCCH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	114.9900	0.000	1	114.9900	0.000	1	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCCH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	N(CCCH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	116.3010	0.358	2	116.3010	0.128	2	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCHH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CCHH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	118.9690	0.000	1	118.9690	0.000	1	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCHH)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(CCHH)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	117.2430	0.000	1	117.2430	0.000	1	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]CH)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(CC[6a]CH)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	112.5810	0.000	1	112.5810	0.000	1	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]CP)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[6a]CP)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	117.9120	0.000	1	117.9120	0.000	1	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]SnH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[6a]SnH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	117.6080	0.000	1	117.6080	0.000	1	116.4881	3.959	8	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	P-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(PNNO)(SCOO)(H)	H(NPS)	S(CH3)(NHP)(O)2	N(PNNO)(SCOO)(H)	H(NPS)	S(CH3)(NHP)(O)2	117.5330	0.000	1	117.5330	0.000	1	117.5330	0.000	1	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(CCHH)(H)	H(NCS)	S(C[5]C[5]2Fe)(NCH)(O)2	N(SC[5]OO)(CCHH)(H)	H(NCS)	S(C[5]C[5]2Fe)(NCH)(O)2	120.4843	0.541	4	120.4843	0.293	4	120.4843	0.293	4	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(SNOO)(H)	H(NSS)	S(CH3)(NHS)(O)2	N(SCOO)(SNOO)(H)	H(NSS)	S(CH3)(NHS)(O)2	117.7905	0.909	2	117.7905	0.826	2	117.7905	0.826	2	117.7971	5.149	15	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP2_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:2:2:	S-4:C-4:H-1:	N-3:	C-4:N-3:N-2:N-2:	N(SCNN)(CC3)(H)	H(NCS)	S(CH3)(NCH)(NC)2	N(SCNN)(CC3)(H)	H(NCS)	S(CH3)(NCH)(NC)2	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	115.9538	14.277	1082	115.9538	14.277	1082
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:1:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:F-1:O-1:O-1:	N(C[6a]C[6a]2)(SFOO)(H)	H(NC[6a]S)	S(NC[6a]H)(F)(O)2	N(C[6a]C[6a]2)(SFOO)(H)	H(NC[6a]S)	S(NC[6a]H)(F)(O)2	114.6415	0.293	2	114.6415	0.086	2	114.6415	0.086	2	112.2337	17.436	3	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:1:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:O-1:O-1:O-1:	N(C[6a]C[6a]2)(SO3)(H)	H(NC[6a]S)	S(NC[6a]H)(O)3	N(C[6a]C[6a]2)(SO3)(H)	H(NC[6a]S)	S(NC[6a]H)(O)3	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	112.2337	17.436	3	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[5])(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[5])(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	110.8930	0.000	1	110.8930	0.000	1	110.2657	1.678	3	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]2)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]2)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	109.9520	1.663	2	109.9520	2.766	2	110.2657	1.678	3	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	110.5572	0.687	4	110.5572	0.472	4	111.0880	6.391	27	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a]2)(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	111.8034	4.986	5	111.8034	24.857	5	111.0880	6.391	27	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	111.4059	1.604	13	111.4059	2.573	13	111.0880	6.391	27	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	N(C[5a]C[5a]O[5a])(SC[6a]OO)(H)	H(NC[5a]S)	S(C[6a]C[6a]2)(NC[5a]H)(O)2	109.9706	2.408	5	109.9706	5.799	5	111.0880	6.391	27	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]2)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[5a]OO)(H)	H(NC[6a]S)	S(C[5a]N[5a]2)(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SC[5a]OO)(H)	H(NC[6a]S)	S(C[5a]N[5a]2)(NC[6a]H)(O)2	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	110.3502	0.930	5	110.3502	0.865	5	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	114.6910	4.545	3	114.6910	20.656	3	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	111.4481	3.057	10	111.4481	9.347	10	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)2	110.3905	1.304	4	110.3905	1.701	4	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	110.4736	3.178	148	110.4736	10.101	148	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	112.2956	2.362	13	112.2956	5.578	13	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]N[5a,6a]C[5,6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]N[5a,6a]C[5,6a])(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	114.8920	0.000	1	114.8920	0.000	1	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	N(C[6a]N[6a]2)(SC[6a]OO)(H)	H(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]H)(O)2	111.9506	2.956	35	111.9506	8.737	35	110.9359	9.807	219	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)2(O)2	N(C[6a]C[6a]2)(SNOO)(H)	H(NC[6a]S)	S(NC[6a]H)2(O)2	110.0260	0.604	3	110.0260	0.365	3	110.0260	0.365	3	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[4]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[4]C[4]2)(SC[6a]OO)(H)	H(NN[4]S)	S(C[6a]C[6a]2)(NN[4]H)(O)2	N(N[4]C[4]2)(SC[6a]OO)(H)	H(NN[4]S)	S(C[6a]C[6a]2)(NN[4]H)(O)2	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[5,5]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	H(NN[5,5]S)	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	H(NN[5,5]S)	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	111.4110	0.000	2	111.4110	0.000	2	111.4110	0.000	2	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[5,6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	H(NN[5,6]S)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	H(NN[5,6]S)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	110.4325	3.138	8	110.4325	9.845	8	110.4325	9.845	8	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[5a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5a]C[5a]S[5a])(SC[6a]OO)(H)	H(NN[5a]S)	S(C[6a]C[6a]2)(NN[5a]H)(O)2	N(N[5a]C[5a]S[5a])(SC[6a]OO)(H)	H(NN[5a]S)	S(C[6a]C[6a]2)(NN[5a]H)(O)2	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[6]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)(H)	H(NN[6]S)	S(C[6a]C[6a]2)(NN[6]H)(O)2	N(N[6]C[6]2)(SC[6a]OO)(H)	H(NN[6]S)	S(C[6a]C[6a]2)(NN[6]H)(O)2	115.2960	5.293	5	115.2960	28.011	5	115.2960	28.011	5	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:3:1:1:	N[6a]-3:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6a]C[6a]2)(SC[6a]OO)(H)	H(NN[6a]S)	S(C[6a]C[6a]2)(NN[6a]H)(O)2	N(N[6a]C[6a]2)(SC[6a]OO)(H)	H(NN[6a]S)	S(C[6a]C[6a]2)(NN[6a]H)(O)2	113.2317	0.227	3	113.2317	0.052	3	113.2317	0.052	3	111.0498	9.582	275	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[6]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6]C[6]2)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CC3)(O)2	N(C[6]C[6]2)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CC3)(O)2	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	111.1180	5.385	8	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CCHH)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CCHH)(O)2	113.0890	0.000	1	113.0890	0.000	1	111.0487	6.238	7	111.1180	5.385	8	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	3:4:1:1:	C[6a]-3:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)(H)	H(NC[6a]S)	S(NC[6a]H)(CH3)(O)2	110.7087	2.552	6	110.7087	6.514	6	111.0487	6.238	7	111.1180	5.385	8	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]C[5])(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(CC[6a]C[5])(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	105.2610	0.000	1	105.2610	0.000	1	105.2610	0.000	1	105.2610	0.000	1	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	2:3:1:1:	S-4:H-1:H-1:	N-3:	O-2:N-3:O-1:O-1:	N(SO3)(H)2	H(NHS)	S(OC[6])(NHH)(O)2	N(SO3)(H)2	H(NHS)	S(OC[6])(NHH)(O)2	114.0940	6.061	2	114.0940	36.740	2	113.3907	20.794	6	113.3907	20.794	6	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	2:3:1:1:	S-4:H-1:H-1:	N-3:	O-2:N-3:O-1:O-1:	N(SO3)(H)2	H(NHS)	S(OC[6a])(NHH)(O)2	N(SO3)(H)2	H(NHS)	S(OC[6a])(NHH)(O)2	113.0390	4.681	4	113.0390	21.915	4	113.3907	20.794	6	113.3907	20.794	6	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:1:1:1:	S-4:H-1:H-1:	N-3:	N-3:O-1:O-1:O-1:	N(SO3)(H)2	H(NHS)	S(NHH)(O)3	N(SO3)(H)2	H(NHS)	S(NHH)(O)3	110.9884	2.938	8	110.9884	8.630	8	110.9884	8.630	8	110.9884	8.630	8	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:2:1:1:	S-4:H-1:H-1:	N-3:	N-3:N-2:O-1:O-1:	N(SNOO)(H)2	H(NHS)	S(NHH)(NC)(O)2	N(SNOO)(H)2	H(NHS)	S(NHH)(NC)(O)2	112.9140	2.005	6	112.9140	4.022	6	112.9140	4.022	6	114.9014	9.136	12	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:2:1:1:	S-4:H-1:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(SO3)(H)2	H(NHS)	S(NHH)(OC)(O)2	N(SO3)(H)2	H(NHS)	S(NHH)(OC)(O)2	116.8888	2.569	6	116.8888	6.599	6	116.8888	6.599	6	114.9014	9.136	12	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5]-3:N-3:O-1:O-1:	N(SC[5]OO)(H)2	H(NHS)	S(C[5]N[5]S[5])(NHH)(O)2	N(SC[5]OO)(H)2	H(NHS)	S(C[5]N[5]S[5])(NHH)(O)2	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]C[5a]N[5a])(NHH)(O)2	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]C[5a]N[5a])(NHH)(O)2	109.3450	0.123	2	109.3450	0.015	2	114.3181	10.755	64	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]C[5a]S[5a])(NHH)(O)2	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]C[5a]S[5a])(NHH)(O)2	115.1243	3.089	6	115.1243	9.545	6	114.3181	10.755	64	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]N[5a,6a]C[5a])(NHH)(O)2	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]N[5a,6a]C[5a])(NHH)(O)2	112.4125	0.260	2	112.4125	0.067	2	114.3181	10.755	64	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]N[5a]S[5a])(NHH)(O)2	N(SC[5a]OO)(H)2	H(NHS)	S(C[5a]N[5a]S[5a])(NHH)(O)2	114.4833	3.273	54	114.4833	10.710	54	114.3181	10.755	64	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a,6a]C[6a])(NHH)(O)2	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a,6a]C[6a])(NHH)(O)2	111.2485	0.873	2	111.2485	0.763	2	113.4240	12.462	421	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a]2)(NHH)(O)2	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a]2)(NHH)(O)2	113.4173	3.554	413	113.4173	12.632	413	113.4240	12.462	421	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a]N[6a])(NHH)(O)2	N(SC[6a]OO)(H)2	H(NHS)	S(C[6a]C[6a]N[6a])(NHH)(O)2	114.6050	1.483	6	114.6050	2.201	6	113.4240	12.462	421	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(SNOO)(H)2	H(NHS)	S(NCC)(NHH)(O)2	N(SNOO)(H)2	H(NHS)	S(NCC)(NHH)(O)2	115.3815	0.993	2	115.3815	0.987	2	115.3815	0.987	2	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	3:3:1:1:	S-4:H-1:H-1:	N-3:	N[6]-3:N-3:O-1:O-1:	N(SN[6]OO)(H)2	H(NHS)	S(N[6]C[6]2)(NHH)(O)2	N(SN[6]OO)(H)2	H(NHS)	S(N[6]C[6]2)(NHH)(O)2	112.2490	1.410	6	112.2490	1.987	6	112.2490	1.987	6	113.5470	12.225	494	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	4:3:1:1:	S-4:H-1:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(H)2	H(NHS)	S(CC3)(NHH)(O)2	N(SCOO)(H)2	H(NHS)	S(CC3)(NHH)(O)2	114.9320	0.000	1	114.9320	0.000	1	113.4531	14.233	7	112.6153	13.439	9	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	4:3:1:1:	S-4:H-1:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(H)2	H(NHS)	S(CC[5a]HH)(NHH)(O)2	N(SCOO)(H)2	H(NHS)	S(CC[5a]HH)(NHH)(O)2	111.8220	1.277	2	111.8220	1.631	2	113.4531	14.233	7	112.6153	13.439	9	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	4:3:1:1:	S-4:H-1:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(H)2	H(NHS)	S(CFFP)(NHH)(O)2	N(SCOO)(H)2	H(NHS)	S(CFFP)(NHH)(O)2	109.5675	0.302	2	109.5675	0.091	2	113.4531	14.233	7	112.6153	13.439	9	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	4:3:1:1:	S-4:H-1:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(H)2	H(NHS)	S(CH3)(NHH)(O)2	N(SCOO)(H)2	H(NHS)	S(CH3)(NHH)(O)2	118.2305	0.568	2	118.2305	0.322	2	113.4531	14.233	7	112.6153	13.439	9	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:1:1:	3:	4:3:1:1:	S-4:H-1:H-1:	N-3:	C[6]-4:N-3:O-1:O-1:	N(SC[6]OO)(H)2	H(NHS)	S(C[6]C[6]2Ru)(NHH)(O)2	N(SC[6]OO)(H)2	H(NHS)	S(C[6]C[6]2Ru)(NHH)(O)2	109.6830	0.088	2	109.6830	0.008	2	109.6830	0.008	2	112.6153	13.439	9	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a,6a]C[6a])(NHN)(O)2	108.3900	0.000	1	108.3900	0.000	1	112.8099	8.147	65	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	112.9070	2.663	60	112.9070	7.091	60	112.8099	8.147	65	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	120.2040	0.000	1	120.2040	0.000	1	112.8099	8.147	65	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5a])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5a])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	109.4160	0.000	1	109.4160	0.000	1	112.8099	8.147	65	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:N-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[6])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[6])(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	110.1080	1.464	2	110.1080	2.142	2	112.8099	8.147	65	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:O-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(OC)(H)	H(NOS)	S(C[6a]C[6a]2)(NHO)(O)2	N(SC[6a]OO)(OC)(H)	H(NOS)	S(C[6a]C[6a]2)(NHO)(O)2	108.5103	0.767	3	108.5103	0.589	3	108.1658	0.867	4	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:O-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(OH)(H)	H(NOS)	S(C[6a]C[6a]2)(NHO)(O)2	N(SC[6a]OO)(OH)(H)	H(NOS)	S(C[6a]C[6a]2)(NHO)(O)2	107.1320	0.000	1	107.1320	0.000	1	108.1658	0.867	4	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:3:1:1:	S-4:S-2:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(SN)(H)	H(NSS)	S(C[6a]C[6a]2)(NHS)(O)2	N(SC[6a]OO)(SN)(H)	H(NSS)	S(C[6a]C[6a]2)(NHS)(O)2	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.5335	8.776	70	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	3:4:3:2:	S-4:C-2:H-1:	N-3:	C[6a]-3:C-4:N-3:O-2:	N(SC[6a]CO)(CN)(H)	H(NCS)	S(C[6a]C[6a]2)(CC[6a]HH)(NCH)(OH)	N(SC[6a]CO)(CN)(H)	H(NCS)	S(C[6a]C[6a]2)(CC[6a]HH)(NCH)(OH)	121.4750	0.000	2	121.4750	0.000	2	121.4750	0.000	2	121.4750	0.000	2	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:2:1:	3:	4:3:1:1:	S-4:N-2:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(NC)(H)	H(NNS)	S(C[5]C[5]2Fe)(NHN)(O)2	N(SC[5]OO)(NC)(H)	H(NNS)	S(C[5]C[5]2Fe)(NHN)(O)2	111.5345	0.213	2	111.5345	0.045	2	111.5345	0.045	2	111.5345	0.045	2	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	109.8424	3.070	5	109.8424	9.426	5	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	111.1915	1.440	2	111.1915	2.075	2	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	110.0650	0.000	1	110.0650	0.000	1	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	107.9763	2.618	3	107.9763	6.852	3	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5a]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5a]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	109.8340	0.000	1	109.8340	0.000	1	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]C)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	111.2060	0.431	2	111.2060	0.186	2	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6a]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6a]O)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	110.2168	6.007	4	110.2168	36.081	4	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	115.7860	0.908	2	115.7860	0.824	2	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CNO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	113.9690	0.000	1	113.9690	0.000	1	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CNS)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CNS)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.5910	0.000	1	112.5910	0.000	1	110.7652	12.269	22	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NCH)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	112.7418	4.424	6	112.7418	19.575	6	111.6469	22.862	15	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5]H)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5]H)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	111.7420	0.000	1	111.7420	0.000	1	111.6469	22.862	15	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NC[5a]H)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NC[5a]H)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	114.1405	5.920	4	114.1405	35.051	4	111.6469	22.862	15	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NCuC)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NCuC)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	104.0810	0.000	1	104.0810	0.000	1	111.6469	22.862	15	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NHH)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NHH)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	108.9650	0.000	1	108.9650	0.000	1	111.6469	22.862	15	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	3:3:1:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(NHS)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	N(SC[6a]OO)(NHS)(H)	H(NNS)	S(C[6a]C[6a]2)(NHN)(O)2	108.4515	0.323	2	108.4515	0.104	2	111.6469	22.862	15	111.1226	16.240	37	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:3:1:	3:	4:3:1:1:	S-4:C-3:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CCH)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(SCOO)(CCH)(H)	H(NCS)	S(CH3)(NCH)(O)2	113.1667	0.726	3	113.1667	0.527	3	113.1667	0.527	3	113.1667	0.527	3	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:1:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:O-1:O-1:O-1:	N(C[6]C[6]2H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(O)3	N(C[6]C[6]2H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(O)3	108.0635	0.197	2	108.0635	0.039	2	108.0635	0.039	2	108.0635	0.039	2	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(CC3)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	N(CC3)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	111.9620	1.645	2	111.9620	2.705	2	112.3342	18.601	10	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(CC[6a]CH)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	N(CC[6a]CH)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	111.4147	4.222	7	111.4147	17.824	7	112.3342	18.601	10	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(CHHN)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	N(CHHN)(SO3)(H)	H(NCS)	S(NCH)(OC)(O)2	119.5150	0.000	1	119.5150	0.000	1	112.3342	18.601	10	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[3]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[3]C[6a]C[3]2)(SO3)(H)	H(NC[3]S)	S(NC[3]H)(OC)(O)2	N(C[3]C[6a]C[3]2)(SO3)(H)	H(NC[3]S)	S(NC[3]H)(OC)(O)2	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[5]C[3,5]C[5]H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	N(C[5]C[3,5]C[5]H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	120.5570	0.000	1	120.5570	0.000	1	115.2406	15.542	5	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[5]C[5,6]N[5]H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	N(C[5]C[5,6]N[5]H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	112.3630	0.000	1	112.3630	0.000	1	115.2406	15.542	5	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[5]C[5]2H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	N(C[5]C[5]2H)(SO3)(H)	H(NC[5]S)	S(NC[5]H)(OC)(O)2	114.4277	3.438	3	114.4277	11.821	3	115.2406	15.542	5	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[6]C[3,6]C[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	N(C[6]C[3,6]C[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	119.4790	0.000	1	119.4790	0.000	1	115.8752	22.301	4	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[6]C[6]2C)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC[6a])(O)2	N(C[6]C[6]2C)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC[6a])(O)2	108.9260	0.000	1	108.9260	0.000	1	115.8752	22.301	4	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:2:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:O-2:O-1:O-1:	N(C[6]C[6]N[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	N(C[6]C[6]N[6]H)(SO3)(H)	H(NC[6]S)	S(NC[6]H)(OC)(O)2	117.5480	0.165	2	117.5480	0.027	2	115.8752	22.301	4	113.7743	18.285	20	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C-3:N-3:O-1:O-1:	N(CC[6]HH)(SCOO)(H)	H(NCS)	S(CCH)(NCH)(O)2	N(CC[6]HH)(SCOO)(H)	H(NCS)	S(CCH)(NCH)(O)2	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[5a]OO)(H)	H(NCS)	S(C[5a]C[5a]S[5a])(NCH)(O)2	N(CC[6a]CH)(SC[5a]OO)(H)	H(NCS)	S(C[5a]C[5a]S[5a])(NCH)(O)2	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[3,5,5]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(CC[3,5,5]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	121.2000	0.000	1	121.2000	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5,5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(CC[5,5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	117.1620	0.000	1	117.1620	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5,5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5,5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.4110	5.573	2	116.4110	31.063	2	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5,6]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	109.5960	0.000	1	109.5960	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	113.1504	3.057	5	113.1504	9.347	5	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]C[6a]C)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]C[6a]C)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.9930	1.114	2	112.9930	1.242	2	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[5a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[5a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	109.6950	0.000	1	109.6950	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]2H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(CC[6a]2H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	108.8020	0.000	1	108.8020	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]2H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]2H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.7310	3.413	10	112.7310	11.647	10	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CC)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]CC)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.5470	0.000	1	116.5470	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(CC[6a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	114.6020	0.000	1	114.6020	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]CH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.1179	5.440	61	114.1179	29.596	61	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CP)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]CP)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	109.8570	0.000	1	109.8570	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[3]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[3]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.3000	0.000	1	117.3000	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[5]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[5]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	115.0844	4.833	5	115.0844	23.360	5	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]C[6]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]C[6]H)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	115.3372	5.104	4	115.3372	26.049	4	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6,6a]C[6a])(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6,6a]C[6a])(NCH)(O)2	106.7250	0.000	1	106.7250	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	112.6450	6.717	3	112.6450	45.113	3	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.6085	2.753	17	112.6085	7.579	17	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(CC[6a]HH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	111.1330	0.000	1	111.1330	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]SiH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]SiH)(SC[6a]OO)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.0590	0.000	1	114.0590	0.000	1	113.7090	21.930	121	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CCCH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	N(CCCH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	116.8454	5.177	5	116.8454	26.798	5	116.1281	27.159	8	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CCHH)(SNOO)(H)	H(NCS)	S(NCC)(NCH)(O)2	N(CCHH)(SNOO)(H)	H(NCS)	S(NCC)(NCH)(O)2	115.4210	0.000	1	115.4210	0.000	1	116.1281	27.159	8	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CCHH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	N(CCHH)(SNOO)(H)	H(NCS)	S(NCH)2(O)2	120.8410	0.000	1	120.8410	0.000	1	116.1281	27.159	8	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(CC[6,6]C[6a]H)(SNOO)(H)	H(NCS)	S(NC[6a]H)(NCH)(O)2	N(CC[6,6]C[6a]H)(SNOO)(H)	H(NCS)	S(NC[6a]H)(NCH)(O)2	108.5360	0.000	1	108.5360	0.000	1	116.1281	27.159	8	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[3x6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	H(NC[3x6]S)	S(C[6a]C[6a]2)(NC[3x6]H)(O)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	H(NC[3x6]S)	S(C[6a]C[6a]2)(NC[3x6]H)(O)2	112.4840	2.784	17	112.4840	7.750	17	112.4840	7.750	17	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[4]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	115.9405	6.561	2	115.9405	43.050	2	116.9946	11.695	5	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[4]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[4]C[4]2C)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	N(C[4]C[4]2C)(SC[6a]OO)(H)	H(NC[4]S)	S(C[6a]C[6a]2)(NC[4]H)(O)2	117.6973	0.114	3	117.6973	0.013	3	116.9946	11.695	5	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5,6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]OO)(H)	H(NC[5,6]S)	S(C[6a]C[6a]2)(NC[5,6]H)(O)2	N(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]OO)(H)	H(NC[5,6]S)	S(C[6a]C[6a]2)(NC[5,6]H)(O)2	110.2080	0.000	1	110.2080	0.000	1	110.7357	0.400	4	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5,6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5,6]C[5,6]2H)(SC[6a]OO)(H)	H(NC[5,6]S)	S(C[6a]C[6a]2)(NC[5,6]H)(O)2	N(C[5,6]C[5,6]2H)(SC[6a]OO)(H)	H(NC[5,6]S)	S(C[6a]C[6a]2)(NC[5,6]H)(O)2	111.2295	0.470	2	111.2295	0.221	2	110.7357	0.400	4	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5,6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5,6]N[5,6]C[5]C[6])(SC[6a]OO)(H)	H(NC[5,6]S)	S(C[6a]C[6a]2)(NC[5,6]H)(O)2	N(C[5,6]N[5,6]C[5]C[6])(SC[6a]OO)(H)	H(NC[5,6]S)	S(C[6a]C[6a]2)(NC[5,6]H)(O)2	110.2760	0.000	1	110.2760	0.000	1	110.7357	0.400	4	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[3,5]C[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[3,5]C[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	109.9625	7.090	4	109.9625	50.272	4	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5,5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5,5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	111.5343	2.256	4	111.5343	5.090	4	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5,6]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5,6]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	115.0030	0.000	1	115.0030	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	117.4450	0.000	1	117.4450	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	112.7666	3.611	5	112.7666	13.037	5	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	117.6650	0.000	1	117.6650	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5,6a]O[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5,6a]O[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	114.9400	0.000	1	114.9400	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]2C)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]2C)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	117.2390	0.000	1	117.2390	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]2H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]2H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	114.6417	4.402	16	114.6417	19.376	16	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]N[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]N[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	108.8430	0.000	1	108.8430	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[5]C[5]O[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	N(C[5]C[5]O[5]H)(SC[6a]OO)(H)	H(NC[5]S)	S(C[6a]C[6a]2)(NC[5]H)(O)2	112.1480	0.000	1	112.1480	0.000	1	113.5381	19.218	36	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6,6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	H(NC[6,6]S)	S(C[6a]C[6a]2)(NC[6,6]H)(O)2	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	H(NC[6,6]S)	S(C[6a]C[6a]2)(NC[6,6]H)(O)2	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	108.0350	0.000	1	108.0350	0.000	1	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	116.6074	4.490	8	116.6074	20.158	8	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	112.5265	2.179	2	112.5265	4.746	2	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	119.4570	0.000	1	119.4570	0.000	1	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	119.1300	0.354	4	119.1300	0.125	4	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	111.1863	1.668	4	111.1863	2.784	4	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	114.6473	3.387	37	114.6473	11.474	37	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	117.3040	0.000	1	117.3040	0.000	1	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	C[6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	H(NC[6]S)	S(C[6a]C[6a]2)(NC[6]H)(O)2	110.0380	0.000	1	110.0380	0.000	1	114.8468	14.284	59	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[5]-3:N-3:O-1:O-1:	N(SC[5]OO)(CCHH)(H)	H(NCS)	S(C[5]C[5]2)(NCH)(O)2	N(SC[5]OO)(CCHH)(H)	H(NCS)	S(C[5]C[5]2)(NCH)(O)2	114.8030	0.000	1	114.8030	0.000	1	114.8030	0.000	1	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC3)(H)	H(NCS)	S(C[6a]C[5,6a]C[6a])(NCH)(O)2	N(SC[6a]OO)(CC3)(H)	H(NCS)	S(C[6a]C[5,6a]C[6a])(NCH)(O)2	110.7895	5.676	2	110.7895	32.216	2	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC3)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC3)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	113.9520	4.625	17	113.9520	21.393	17	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	113.8473	3.739	4	113.8473	13.978	4	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.9399	5.101	98	114.9399	26.025	98	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	N(SC[6a]OO)(CCCH)(H)	H(NCS)	S(C[6a]C[6a]N[6a])(NCH)(O)2	119.3120	0.000	1	119.3120	0.000	1	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCCP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCCP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.4950	0.000	1	114.4950	0.000	1	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	112.2120	3.484	3	112.2120	12.138	3	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CCHH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	114.0092	4.646	88	114.0092	21.585	88	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[3]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[3]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	113.2670	0.000	1	113.2670	0.000	1	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[3]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[3]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	117.6058	3.063	5	117.6058	9.384	5	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[3]HP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[3]HP)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.5995	0.118	2	112.5995	0.014	2	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]CC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]CC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	110.5490	1.615	2	110.5490	2.608	2	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	118.2575	0.527	2	118.2575	0.278	2	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]HH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(SC[6a]OO)(CC[5]HH)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	119.2060	0.000	1	119.2060	0.000	1	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[5]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[5]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	110.6823	2.274	9	110.6823	5.170	9	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]2H)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	N(SC[6a]OO)(CC[6]2H)(H)	H(NCS)	S(C[6a]C[6a,6a]C[6a])(NCH)(O)2	117.1270	0.000	1	117.1270	0.000	1	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]CC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6]CC)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.6590	0.000	1	116.6590	0.000	1	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6]CH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	113.1953	5.007	3	113.1953	25.068	3	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CC[6]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CC[6]HH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	112.2462	4.322	17	112.2462	18.681	17	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CH3)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CH3)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	116.3505	6.553	2	116.3505	42.939	2	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)(CSiCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	N(SC[6a]OO)(CSiCH)(H)	H(NCS)	S(C[6a]C[6a]2)(NCH)(O)2	120.6067	0.081	3	120.6067	0.006	3	114.2853	22.556	263	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(SNOO)(CH3)(H)	H(NCS)	S(NC[6]C)(NCH)(O)2	N(SNOO)(CH3)(H)	H(NCS)	S(NC[6]C)(NCH)(O)2	109.7250	10.136	2	109.7250	102.732	2	109.7250	102.732	2	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:C-4:H-1:	N-3:	N[5]-3:N-3:O-1:O-1:	N(SN[5]OO)(CH3)(H)	H(NCS)	S(N[5]C[5]2)(NCH)(O)2	N(SN[5]OO)(CH3)(H)	H(NCS)	S(N[5]C[5]2)(NCH)(O)2	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:S-4:H-1:	N-3:	C[5a]-3:N-3:O-1:O-1:	N(SC[5a]OO)2(H)	H(NSS)	S(C[5a]N[5a]S[5a])(NHS)(O)2	N(SC[5a]OO)2(H)	H(NSS)	S(C[5a]N[5a]S[5a])(NHS)(O)2	117.8020	0.038	2	117.8020	0.001	2	117.8020	0.001	2	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:S-4:H-1:	N-3:	C[6a]-3:N-3:O-1:O-1:	N(SC[6a]OO)2(H)	H(NSS)	S(C[6a]C[6a]2)(NHS)(O)2	N(SC[6a]OO)2(H)	H(NSS)	S(C[6a]C[6a]2)(NHS)(O)2	113.6030	2.138	6	113.6030	4.569	6	113.6030	4.569	6	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:1:1:	S-4:S-4:H-1:	N-3:	N-3:N-3:O-1:O-1:	N(SCOO)(SNOO)(H)	H(NSS)	S(NHS)2(O)2	N(SCOO)(SNOO)(H)	H(NSS)	S(NHS)2(O)2	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	114.1118	20.573	529	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:2:1:	C[3x6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:N-2:O-1:	N(C[3x6]C[6,6]3)(SC[6a]NO)(H)	H(NC[3x6]S)	S(C[6a]C[6a]2)(NC[3x6]H)(NS)(O)	N(C[3x6]C[6,6]3)(SC[6a]NO)(H)	H(NC[3x6]S)	S(C[6a]C[6a]2)(NC[3x6]H)(NS)(O)	117.2300	4.079	2	117.2300	16.635	2	117.2300	16.635	2	114.6190	28.769	3	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:3:2:1:	C[6,6]-4:S-4:H-1:	N-3:	C[6a]-3:N-3:N-2:O-1:	N(C[6,6]C[4,6,6]C[6,6]H)(SC[6a]NO)(H)	H(NC[6,6]S)	S(C[6a]C[6a]2)(NC[6,6]H)(NS)(O)	N(C[6,6]C[4,6,6]C[6,6]H)(SC[6a]NO)(H)	H(NC[6,6]S)	S(C[6a]C[6a]2)(NC[6,6]H)(NS)(O)	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	114.6190	28.769	3	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[5,5]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5,5]C[5,6a]C[5,5]N[5])(SCOO)(H)	H(NC[5,5]S)	S(NC[5,5]H)(CHHS)(O)2	N(C[5,5]C[5,6a]C[5,5]N[5])(SCOO)(H)	H(NC[5,5]S)	S(NC[5,5]H)(CHHS)(O)2	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5]C[5,5]C[5]H)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CCHH)(O)2	N(C[5]C[5,5]C[5]H)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CCHH)(O)2	115.2500	0.000	1	115.2500	0.000	1	111.1192	3.076	9	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5]C[5,6a]C[5]H)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CC3)(O)2	N(C[5]C[5,6a]C[5]H)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CC3)(O)2	109.3680	0.000	1	109.3680	0.000	1	111.1192	3.076	9	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[5]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[5]C[5]2Fe)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CH3)(O)2	N(C[5]C[5]2Fe)(SCOO)(H)	H(NC[5]S)	S(NC[5]H)(CH3)(O)2	110.7793	0.782	7	110.7793	0.612	7	111.1192	3.076	9	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CC3)(O)2	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CC3)(O)2	119.1480	0.000	1	119.1480	0.000	1	117.8060	3.602	2	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	C[6]-4:S-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(C[6]C[6]2H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CH3)(O)2	N(C[6]C[6]2H)(SCOO)(H)	H(NC[6]S)	S(NC[6]H)(CH3)(O)2	116.4640	0.000	1	116.4640	0.000	1	117.8060	3.602	2	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	3:4:1:1:	S-4:Si-4:H-1:	N-3:	N-3:C-4:O-1:O-1:	N(SCOO)(SiC3)(H)	H(NSiS)	S(NSiH)(CH3)(O)2	N(SCOO)(SiC3)(H)	H(NSiS)	S(NSiH)(CH3)(O)2	110.0490	1.993	2	110.0490	3.971	2	110.0490	3.971	2	112.0531	8.852	14	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCCH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CCCH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	109.9105	5.147	8	109.9105	26.488	8	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCCH)(SCOO)(H)	H(NCS)	S(CC[5]HH)(NCH)(O)2	N(CCCH)(SCOO)(H)	H(NCS)	S(CC[5]HH)(NCH)(O)2	114.1635	5.484	2	114.1635	30.070	2	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCHH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	N(CCHH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	117.6010	0.000	1	117.6010	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CCHH)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(CCHH)(SCOO)(H)	H(NCS)	S(CH3)(NCH)(O)2	110.0468	4.115	10	110.0468	16.933	10	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[5]HH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[5]HH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	118.6655	0.344	2	118.6655	0.119	2	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[5]HH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	N(CC[5]HH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	113.4473	4.252	3	113.4473	18.077	3	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6]CH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[6]CH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	117.7130	0.000	1	117.7130	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6]CH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	N(CC[6]CH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	110.4570	0.000	1	110.4570	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6]HH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	N(CC[6]HH)(SCOO)(H)	H(NCS)	S(CF3)(NCH)(O)2	117.9670	0.000	1	117.9670	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]CP)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[6a]CP)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	117.1450	0.000	1	117.1450	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]HH)(SCOO)(H)	H(NCS)	S(CC[6a]HH)(NCH)(O)2	N(CC[6a]HH)(SCOO)(H)	H(NCS)	S(CC[6a]HH)(NCH)(O)2	118.0420	0.000	1	118.0420	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]SiH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[6a]SiH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	118.7820	0.000	1	118.7820	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(CC[6a]SnH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	N(CC[6a]SnH)(SCOO)(H)	H(NCS)	S(CC3)(NCH)(O)2	117.5460	0.000	1	117.5460	0.000	1	112.7577	25.141	33	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(CC[6a]HH)(SC[5]OO)(H)	H(NCS)	S(C[5]C[5]2Fe)(NCH)(O)2	N(CC[6a]HH)(SC[5]OO)(H)	H(NCS)	S(C[5]C[5]2Fe)(NCH)(O)2	120.5220	0.000	1	120.5220	0.000	1	120.5220	0.000	1	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C-4:S-4:H-1:	N-3:	C[6]-4:N-3:O-1:O-1:	N(CC[6a]HH)(SC[6]OO)(H)	H(NCS)	S(C[6]C[6]2H)(NCH)(O)2	N(CC[6a]HH)(SC[6]OO)(H)	H(NCS)	S(C[6]C[6]2H)(NCH)(O)2	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C[3]-4:S-4:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(C[3]C[3]2H)(SC[5]OO)(H)	H(NC[3]S)	S(C[5]C[5]2Fe)(NC[3]H)(O)2	N(C[3]C[3]2H)(SC[5]OO)(H)	H(NC[3]S)	S(C[5]C[5]2Fe)(NC[3]H)(O)2	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	C[5]-4:S-4:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(C[5]C[5]2H)(SC[5]OO)(H)	H(NC[5]S)	S(C[5]C[5]2Fe)(NC[5]H)(O)2	N(C[5]C[5]2H)(SC[5]OO)(H)	H(NC[5]S)	S(C[5]C[5]2Fe)(NC[5]H)(O)2	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CC3)(H)	H(NCS)	S(CH3)(NCH)(O)2	N(SCOO)(CC3)(H)	H(NCS)	S(CH3)(NCH)(O)2	112.2480	0.000	1	112.2480	0.000	1	112.1767	0.583	4	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(H)	H(NCS)	S(CCHH)(NCH)(O)2	N(SCOO)(CH3)(H)	H(NCS)	S(CCHH)(NCH)(O)2	111.7060	0.000	1	111.7060	0.000	1	112.1767	0.583	4	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(CH3)(H)	H(NCS)	S(CC[6a]HH)(NCH)(O)2	N(SCOO)(CH3)(H)	H(NCS)	S(CC[6a]HH)(NCH)(O)2	112.3765	1.201	2	112.3765	1.443	2	112.1767	0.583	4	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C[3x6]-4:N-3:O-1:O-1:	N(SC[3x6]OO)(CC3)(H)	H(NCS)	S(C[3x6]C[6,6]3)(NCH)(O)2	N(SC[3x6]OO)(CC3)(H)	H(NCS)	S(C[3x6]C[6,6]3)(NCH)(O)2	110.1960	0.000	1	110.1960	0.000	1	114.3180	33.982	2	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C[3x6]-4:N-3:O-1:O-1:	N(SC[3x6]OO)(CC[6a]HH)(H)	H(NCS)	S(C[3x6]C[6,6]3)(NCH)(O)2	N(SC[3x6]OO)(CC[6a]HH)(H)	H(NCS)	S(C[3x6]C[6,6]3)(NCH)(O)2	118.4400	0.000	1	118.4400	0.000	1	114.3180	33.982	2	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:C-4:H-1:	N-3:	C[5]-4:N-3:O-1:O-1:	N(SC[5]OO)(CCHH)(H)	H(NCS)	S(C[5]C[5]2Fe)(NCH)(O)2	N(SC[5]OO)(CCHH)(H)	H(NCS)	S(C[5]C[5]2Fe)(NCH)(O)2	120.8560	0.645	5	120.8560	0.416	5	120.8560	0.416	5	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:1:1:	S-4:S-4:H-1:	N-3:	C-4:N-3:O-1:O-1:	N(SCOO)(SNOO)(H)	H(NSS)	S(CF3)(NHS)(O)2	N(SCOO)(SNOO)(H)	H(NSS)	S(CF3)(NHS)(O)2	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	114.2411	26.860	49	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	4:4:1:	3:	4:3:2:2:	S-4:C-4:H-1:	N-3:	C-4:N-3:N-2:N-2:	N(SCNN)(CC3)(H)	H(NCS)	S(CHHS)(NCH)(NC)2	N(SCNN)(CC3)(H)	H(NCS)	S(CHHS)(NCH)(NC)2	103.5245	1.773	2	103.5245	3.143	2	103.5245	3.143	2	103.5245	3.143	2	113.1516	16.553	1554	113.1516	16.553	1554
956	951	952	0:SP3_SP-NON_SP3	N	H	S	6:4:1:	3:	3:3:1:1:	B[5x3,5x5,20x6]-6:S-4:H-1:	N-3:	N-3:C[6a]-3:O-1:O-1:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a]OO)(H)	H(NB[5x3,5x5,20x6]S)	S(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a]OO)(H)	H(NB[5x3,5x5,20x6]S)	S(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)2	109.2972	4.031	5	109.2972	16.249	5	109.2972	16.249	5	109.2972	16.249	5	113.1516	16.553	1554	113.1516	16.553	1554
956	951	955	0:SP2_SP-NON_SP3	N	H	P[5]	3:4:1:	3:	3:3:3:1:	C[6a]-3:P[5]-4:H-1:	N-3:	N[5]-3:N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(P[5]N[5]2O)(H)	H(NC[6a]P[5])	P[5](N[5]C[5,6a]H)2(NC[6a]H)(O)	N(C[6a]C[6a]2)(P[5]N[5]2O)(H)	H(NC[6a]P[5])	P[5](N[5]C[5,6a]H)2(NC[6a]H)(O){2|C<3>}	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	116.7602	0.530	4	116.7602	0.530	4
956	951	955	0:SP2_SP-NON_SP3	N	H	P[5]	4:4:1:	3:	3:3:3:1:	C-4:P[5]-4:H-1:	N-3:	N[5]-3:N[5]-3:N-3:O-1:	N(CC[6a]C[5]H)(P[5]N[5]2O)(H)	H(NP[5]C)	P[5](N[5]C[5,6]C)2(NCH)(O)	N(CC[6a]C[5]H)(P[5]N[5]2O)(H)	H(NP[5]C)	P[5](N[5]C[5,6]C)2(NCH)(O){2|C<4>,2|H<1>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	117.0813	0.177	3	116.7602	0.530	4	116.7602	0.530	4
956	951	955	0:SP2_SP-NON_SP3	N	H	P[5]	4:4:1:	3:	3:3:3:1:	P[5]-4:C-4:H-1:	N-3:	N[5]-3:N[5]-3:N-3:O-1:	N(P[5]N[5]2O)(CC[6a]CH)(H)	H(NP[5]C)	P[5](N[5]C[5,6]C)2(NCH)(O)	N(P[5]N[5]2O)(CC[6a]CH)(H)	H(NP[5]C)	P[5](N[5]C[5,6]C)2(NCH)(O){2|C<4>,2|H<1>}	117.1345	0.581	2	117.1345	0.337	2	117.1345	0.337	2	117.0813	0.177	3	116.7602	0.530	4	116.7602	0.530	4
956	951	955	0:SP3_SP-NON_SP3	N	H	P[5]	4:4:1:	3:	3:3:3:1:	P[5]-4:C-4:H-1:	N-3:	N[5]-3:N[5]-3:N-3:O-1:	N(P[5]N[5]2O)(CC[6a]CH)(H)	H(NP[5]C)	P[5](N[5]C[5,6]C)2(NCH)(O)	N(P[5]N[5]2O)(CC[6a]CH)(H)	H(NP[5]C)	P[5](N[5]C[5,6]C)2(NCH)(O){2|C<4>,2|H<1>}	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:1:	3:	3:1:1:	N-3:H-1:H-1:	N-3:	N-3:H-1:H-1:	N(NHH)(H)2	H(NHN)	N(NHH)(H)2	N(NHH)(H)2	H(NHN)	N(NHH)(H)2	120.0397	3.012	4	120.0397	9.071	4	120.0397	9.071	4	120.0397	9.071	4	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CCO)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CCO)(NHH)(H)	120.0220	0.045	2	120.0220	0.002	2	119.9786	0.004	13	119.9798	0.004	15	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	119.9591	0.079	7	119.9591	0.006	7	119.9786	0.004	13	119.9798	0.004	15	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNS)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNS)(NHH)(H)	119.9910	0.028	4	119.9910	0.001	4	119.9786	0.004	13	119.9798	0.004	15	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a]N[6a])(NHH)(H)	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a]N[6a])(NHH)(H)	119.9875	0.042	2	119.9875	0.002	2	119.9875	0.002	2	119.9798	0.004	15	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	2:3:3:	C-3:N-3:H-1:	N-3:	S-2:C-3:N-3:	N(COO)(NCS)(H)	H(NCN)	N(SC[5])(COO)(NCH)	N(COO)(NCS)(H)	H(NCN)	N(SC[5])(COO)(NCH)	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CCO)(NHH)(H)	H(NCN)	N(NCH)(H)2	117.1000	0.000	1	117.1000	0.000	1	119.3523	9.159	7	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	119.7782	4.035	4	119.7782	16.279	4	119.3523	9.159	7	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNS)(NHH)(H)	H(NCN)	N(NCH)(H)2	119.6265	0.414	2	119.6265	0.171	2	119.3523	9.159	7	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CC[5a]O)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CC[5a]O)(NOO)(H)	H(NCN)	N(NCH)(O)2	110.1340	0.000	1	110.1340	0.000	1	114.2671	8.295	22	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CNN)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CNN)(NOO)(H)	H(NCN)	N(NCH)(O)2	112.9935	1.234	2	112.9935	1.523	2	114.2671	8.295	22	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CNO)(NOO)(H)	H(NCN)	N(NCH)(O)2	115.7465	2.261	6	115.7465	5.114	6	114.2671	8.295	22	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(COO)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(COO)(NOO)(H)	H(NCN)	N(NCH)(O)2	114.0982	3.072	13	114.0982	9.440	13	114.2671	8.295	22	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)(H)	H(NC[5a]N)	N(NC[5a]H)(O)2	N(C[5a]C[5a]N[5a])(NOO)(H)	H(NC[5a]N)	N(NC[5a]H)(O)2	115.3514	3.041	8	115.3514	9.246	8	116.0445	10.284	11	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[5a]N[5a]2)(NOO)(H)	H(NC[5a]N)	N(NC[5a]H)(O)2	N(C[5a]N[5a]2)(NOO)(H)	H(NC[5a]N)	N(NC[5a]H)(O)2	117.8930	3.466	3	117.8930	12.012	3	116.0445	10.284	11	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[6]C[5a,6]N[6])(NOO)(H)	H(NC[6]N)	N(NC[6]H)(O)2	N(C[6]C[5a,6]N[6])(NOO)(H)	H(NC[6]N)	N(NC[6]H)(O)2	113.1150	0.000	1	113.1150	0.000	1	114.5143	10.904	4	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[6]C[6]2)(NOO)(H)	H(NC[6]N)	N(NC[6]H)(O)2	N(C[6]C[6]2)(NOO)(H)	H(NC[6]N)	N(NC[6]H)(O)2	114.9807	3.880	3	114.9807	15.051	3	114.5143	10.904	4	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6a]C[6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	N(C[6a]C[6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[6a]C[6a]2)(NOO)(H)	H(NC[6a]N)	N(NC[6a]H)(O)2	N(C[6a]C[6a]2)(NOO)(H)	H(NC[6a]N)	N(NC[6a]H)(O)2	115.3860	3.054	3	115.3860	9.328	3	114.6024	14.493	5	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[6a]N[6a]2)(NOO)(H)	H(NC[6a]N)	N(NC[6a]H)(O)2	N(C[6a]N[6a]2)(NOO)(H)	H(NC[6a]N)	N(NC[6a]H)(O)2	113.4270	5.892	2	113.4270	34.711	2	114.6024	14.493	5	115.5059	11.828	50	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	B-3:N-3:H-1:	N-3:	B-3:N-3:H-1:	N(BC[6a]Br)(NBH)(H)	H(NBN)	N(BC[6a]Br)(NBH)(H)	N(BC[6a]Br)(NBH)(H)	H(NBN)	N(BC[6a]Br)(NBH)(H)	107.0010	7.401	3	107.0010	54.782	3	107.0010	54.782	3	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCC)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CCC)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	116.5950	0.000	1	116.5950	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCN)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CCN)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	119.3110	0.000	1	119.3110	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CCN)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CCN)(NCH)(H)	119.9480	0.000	1	119.9480	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	118.1029	2.966	17	118.1029	8.795	17	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CC[4]O)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CC[4]O)(NCH)(H)	120.8330	0.000	1	120.8330	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	120.2540	0.000	1	120.2540	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	119.8460	0.000	1	119.8460	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CC[6a]N)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CC[6a]N)(NCH)(H)	120.6780	0.000	1	120.6780	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	118.6247	2.178	15	118.6247	4.745	15	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	120.1565	0.808	2	120.1565	0.653	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	118.3660	2.660	2	118.3660	7.076	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	119.3652	2.293	13	119.3652	5.258	13	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[4]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CC[4]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	119.7920	0.000	1	119.7920	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[4]O)(NCH)(H)	H(NCN)	N(CC[4]O)(NCH)(H)	N(CC[4]O)(NCH)(H)	H(NCN)	N(CC[4]O)(NCH)(H)	118.8830	1.006	2	118.8830	1.011	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5]C)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[5]C)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	118.4070	0.000	1	118.4070	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[5]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	116.6605	4.048	2	116.6605	16.388	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]C)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CC[5a]C)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	118.8370	0.000	1	118.8370	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	119.9630	0.000	1	119.9630	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	120.2657	0.271	3	120.2657	0.073	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6]C)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6]C)(NCH)(H)	112.6340	0.000	1	112.6340	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6a]C[5])(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6a]C[5])(NCH)(H)	120.4590	0.000	1	120.4590	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	118.3520	3.050	2	118.3520	9.305	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	120.4793	1.411	3	120.4793	1.991	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	119.6033	0.434	3	119.6033	0.189	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	118.7960	0.000	1	118.7960	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6]C)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CC[6]C)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	120.4090	0.000	1	120.4090	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6]C)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CC[6]C)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	121.4870	0.000	1	121.4870	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CC[6]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	121.7080	0.000	1	121.7080	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	N(CC[6]O)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	120.7315	0.381	2	120.7315	0.145	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	118.5667	3.422	3	118.5667	11.707	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]C[5])(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CC[6a]C[5])(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	118.5910	0.000	1	118.5910	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]C[5])(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]C[5])(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	118.9300	0.000	1	118.9300	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CC[6a]N)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	119.5960	0.000	1	119.5960	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	H(NCN)	N(CC[6a]N)(NCH)(H)	N(CC[6a]N)(NCH)(H)	H(NCN)	N(CC[6a]N)(NCH)(H)	123.5060	0.257	2	123.5060	0.066	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCC)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCC)(NCH)(H)	115.5360	0.000	1	115.5360	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	117.4293	2.561	15	117.4293	6.557	15	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[5]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[5]O)(NCH)(H)	119.8205	0.711	2	119.8205	0.505	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	118.3035	2.457	2	118.3035	6.038	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	120.1617	0.183	3	120.1617	0.034	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]C[5])(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]C[5])(NCH)(H)	119.8080	0.000	1	119.8080	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	117.9617	2.768	39	117.9617	7.663	39	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	116.6787	4.395	11	116.6787	19.319	11	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	117.9235	2.869	21	117.9235	8.233	21	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CN[6]S)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CN[6]S)(NCH)(H)	117.4780	0.000	1	117.4780	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CSS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CSS)(NCH)(H)	119.4545	0.257	4	119.4545	0.066	4	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CHO)(NCH)(H)	H(NCN)	N(CHO)(NCH)(H)	N(CHO)(NCH)(H)	H(NCN)	N(CHO)(NCH)(H)	117.9770	0.000	1	117.9770	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CHO)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CHO)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	118.3553	1.481	3	118.3553	2.192	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	119.0850	0.081	2	119.0850	0.006	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	117.8850	0.000	1	117.8850	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	121.2800	0.000	1	121.2800	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	117.3665	3.648	2	117.3665	13.308	2	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	120.9767	0.981	3	120.9767	0.963	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CC[6]C)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CC[6]C)(NCH)(H)	123.3980	0.000	1	123.3980	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	117.4473	3.769	11	117.4473	14.208	11	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	118.5617	1.178	3	118.5617	1.387	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	109.9680	0.000	1	109.9680	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	119.1996	1.683	13	119.1996	2.832	13	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[5]C)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[5]C)(NCH)(H)	115.8630	0.000	1	115.8630	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	118.6440	2.789	3	118.6440	7.780	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	117.4181	2.697	21	117.4181	7.275	21	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CHO)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CHO)(NCH)(H)	116.3827	1.105	3	116.3827	1.220	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	116.1666	1.925	7	116.1666	3.707	7	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CN[5a]O)(NCH)(H)	H(NCN)	N(CN[5a]O)(NCH)(H)	N(CN[5a]O)(NCH)(H)	H(NCN)	N(CN[5a]O)(NCH)(H)	120.5173	0.292	6	120.5173	0.085	6	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CN[6]S)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CN[6]S)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	113.1350	0.000	1	113.1350	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CC[5a]C)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CC[5a]C)(NCH)(H)	120.2770	0.000	1	120.2770	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	117.9810	0.000	1	117.9810	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	119.0510	0.000	1	119.0510	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	113.3410	0.000	1	113.3410	0.000	1	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	119.7950	0.973	3	119.7950	0.947	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CPdN)(NCH)(H)	H(NCN)	N(CPdN)(NCH)(H)	N(CPdN)(NCH)(H)	H(NCN)	N(CPdN)(NCH)(H)	122.3707	0.046	3	122.3707	0.002	3	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CSS)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CSS)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	120.2200	0.084	4	120.2200	0.007	4	118.4012	7.414	289	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(CC[6a]O)(NC[5a]H)(H)	H(NCN)	N(C[5a]N[5a]S[5a])(NCH)(H)	N(CC[6a]O)(NC[5a]H)(H)	H(NCN)	N(C[5a]N[5a]S[5a])(NCH)(H)	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6]-3:N-3:H-1:	N(CC[6a]O)(NC[6]H)(H)	H(NCN)	N(C[6]C[6]2)(NCH)(H)	N(CC[6a]O)(NC[6]H)(H)	H(NCN)	N(C[6]C[6]2)(NCH)(H)	120.4490	0.000	1	120.4490	0.000	1	120.2825	0.055	2	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6]-3:N-3:H-1:	N(CC[6a]O)(NC[6]H)(H)	H(NCN)	N(C[6]C[6]N[6])(NCH)(H)	N(CC[6a]O)(NC[6]H)(H)	H(NCN)	N(C[6]C[6]N[6])(NCH)(H)	120.1160	0.000	1	120.1160	0.000	1	120.2825	0.055	2	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[5a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[5a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	121.1070	0.000	1	121.1070	0.000	1	117.3757	6.940	8	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	116.8427	2.333	7	116.8427	5.445	7	117.3757	6.940	8	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[5]N[5]2)(NC[6a]H)(H)	H(NC[5]N)	N(C[6a]N[6a]2)(NC[5]H)(H)	N(C[5]N[5]2)(NC[6a]H)(H)	H(NC[5]N)	N(C[6a]N[6a]2)(NC[5]H)(H)	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[5a]N[5a]S[5a])(NCH)(H)	H(NC[5a]N)	N(CC[6a]O)(NC[5a]H)(H)	N(C[5a]N[5a]S[5a])(NCH)(H)	H(NC[5a]N)	N(CC[6a]O)(NC[5a]H)(H)	121.3790	0.000	1	121.3790	0.000	1	121.3790	0.000	1	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(C[5a]C[5a]N[5a])(NC[5a]H)(H)	H(NC[5a]N)	N(C[5a]C[5a]N[5a])(NC[5a]H)(H)	N(C[5a]C[5a]N[5a])(NC[5a]H)(H)	H(NC[5a]N)	N(C[5a]C[5a]N[5a])(NC[5a]H)(H)	113.8920	3.639	3	113.8920	13.239	3	118.0330	19.908	7	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(C[5a]N[5a]2)(NC[5a]H)(H)	H(NC[5a]N)	N(C[5a]N[5a]2)(NC[5a]H)(H)	N(C[5a]N[5a]2)(NC[5a]H)(H)	H(NC[5a]N)	N(C[5a]N[5a]2)(NC[5a]H)(H)	121.1388	0.990	4	121.1388	0.981	4	118.0330	19.908	7	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6]C[6]2)(NCH)(H)	H(NC[6]N)	N(CC[6a]O)(NC[6]H)(H)	N(C[6]C[6]2)(NCH)(H)	H(NC[6]N)	N(CC[6a]O)(NC[6]H)(H)	119.4050	0.000	1	119.4050	0.000	1	119.5955	0.073	2	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6]C[6]N[6])(NCH)(H)	H(NC[6]N)	N(CC[6a]O)(NC[6]H)(H)	N(C[6]C[6]N[6])(NCH)(H)	H(NC[6]N)	N(CC[6a]O)(NC[6]H)(H)	119.7860	0.000	1	119.7860	0.000	1	119.5955	0.073	2	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[5a]O)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[5a]O)(NC[6a]H)(H)	109.5880	0.000	1	109.5880	0.000	1	113.2016	25.620	8	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	113.7179	5.235	7	113.7179	27.403	7	113.2016	25.620	8	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[5]-3:N-3:H-1:	N(C[6a]N[6a]2)(NC[5]H)(H)	H(NC[6a]N)	N(C[5]N[5]2)(NC[6a]H)(H)	N(C[6a]N[6a]2)(NC[5]H)(H)	H(NC[6a]N)	N(C[5]N[5]2)(NC[6a]H)(H)	119.8300	0.000	1	119.8300	0.000	1	119.8300	0.000	1	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	120.5160	0.000	1	120.5160	0.000	1	116.4645	21.184	10	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	120.8170	0.000	1	120.8170	0.000	1	116.4645	21.184	10	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	114.2387	3.394	7	114.2387	11.520	7	116.4645	21.184	10	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	123.6410	0.000	1	123.6410	0.000	1	116.4645	21.184	10	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCN)(H)	107.7750	0.000	1	107.7750	0.000	1	116.6013	41.036	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNO)(H)	119.8601	4.464	11	119.8601	19.929	11	116.6013	41.036	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(COO)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(COO)(H)	103.9420	0.000	1	103.9420	0.000	1	116.6013	41.036	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNS)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNS)(H)	110.1907	1.702	3	110.1907	2.898	3	116.6013	41.036	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(COO)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(COO)(H)	120.1310	0.000	1	120.1310	0.000	1	116.6013	41.036	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]N[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	N(C[6a]N[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	117.9430	0.000	1	117.9430	0.000	1	116.6013	41.036	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCN)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCN)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	115.3020	0.000	1	115.3020	0.000	1	119.4417	3.717	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]N[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]N[6a]2)(NCH)(H)	118.8880	0.000	1	118.8880	0.000	1	119.4417	3.717	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CNO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	120.0181	1.772	11	120.0181	3.142	11	119.4417	3.717	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNS)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(CNS)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	118.5380	1.956	3	118.5380	3.827	3	119.4417	3.717	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	119.9660	0.000	1	119.9660	0.000	1	119.4417	3.717	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(COO)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(COO)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	119.9810	0.000	1	119.9810	0.000	1	119.4417	3.717	18	118.1159	11.613	369	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C-3:C-3:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(COO)2(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(COO)2(NCH)	111.5050	0.000	1	111.5050	0.000	1	117.9030	19.483	4	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C-3:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCN)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCN)(COO)(NCH)	121.2990	0.000	1	121.2990	0.000	1	117.9030	19.483	4	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C-3:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]C[5])(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]C[5])(COO)(NCH)	119.4040	1.215	2	119.4040	1.476	2	117.9030	19.483	4	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]O)(NC[6a]C)(H)	H(NCN)	N(C[6a]C[6a]2)(CCO)(NCH)	N(CC[6a]O)(NC[6a]C)(H)	H(NCN)	N(C[6a]C[6a]2)(CCO)(NCH)	120.6410	0.000	1	120.6410	0.000	1	119.8067	2.098	3	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]O)(NC[6a]C)(H)	H(NCN)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	N(CC[6a]O)(NC[6a]C)(H)	H(NCN)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	120.6450	0.000	1	120.6450	0.000	1	119.8067	2.098	3	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]O)(NC[6a]C)(H)	H(NCN)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	N(CC[6a]O)(NC[6a]C)(H)	H(NCN)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	118.1340	0.000	1	118.1340	0.000	1	119.8067	2.098	3	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	N(C[6a]C[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	121.4110	0.000	1	121.4110	0.000	1	119.4689	11.566	12	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(CPdN)	N(C[6a]C[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(CPdN)	108.9680	0.000	1	108.9680	0.000	1	119.4689	11.566	12	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:C-3:	N(C[6a]N[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	N(C[6a]N[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	120.3248	0.807	10	120.3248	0.650	10	119.4689	11.566	12	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[5a]-3:C-3:N-3:	N(NC[5a]C)(COO)(H)	H(NCN)	N(C[5a]C[5a]S[5a])(COO)(NCH)	N(NC[5a]C)(COO)(H)	H(NCN)	N(C[5a]C[5a]S[5a])(COO)(NCH)	121.3610	0.000	1	121.3610	0.000	1	121.3610	0.000	1	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	118.3490	0.000	2	118.3490	0.000	2	118.7195	4.914	4	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(COO)(NCH)	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(COO)(NCH)	121.7540	0.000	1	121.7540	0.000	1	118.7195	4.914	4	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	116.4260	0.000	1	116.4260	0.000	1	118.7195	4.914	4	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(NC[6a]2)(CCC)(H)	H(NCN)	N(C[6a]C[6a]2)2(NCH)	N(NC[6a]2)(CCC)(H)	H(NCN)	N(C[6a]C[6a]2)2(NCH)	118.5260	0.000	1	118.5260	0.000	1	118.5260	0.000	1	119.1770	9.139	25	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	N-3:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[5a]O)(CC3)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[5a]O)(CC3)(NCH)	115.0180	0.000	1	115.0180	0.000	1	119.1920	8.942	4	119.5982	7.532	5	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	N-3:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[6a]O)(CC3)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[6a]O)(CC3)(NCH)	119.8095	0.067	2	119.8095	0.005	2	119.1920	8.942	4	119.5982	7.532	5	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	N-3:	C-3:C-4:N-3:	N(CPdN)(NCC)(H)	H(NCN)	N(CPdN)(CH3)(NCH)	N(CPdN)(NCC)(H)	H(NCN)	N(CPdN)(CH3)(NCH)	122.1310	0.000	1	122.1310	0.000	1	119.1920	8.942	4	119.5982	7.532	5	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:P-4:N-3:	N(NC[6a]P)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(PO3)(NCH)	N(NC[6a]P)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(PO3)(NCH)	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	119.5982	7.532	5	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	120.3515	0.169	2	120.3515	0.029	2	119.7250	0.533	4	120.0236	0.446	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	119.0985	0.032	2	119.0985	0.001	2	119.7250	0.533	4	120.0236	0.446	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(COO)(NHP)(H)	H(NCN)	N(PC[6a]NO)(NCH)(H)	N(COO)(NHP)(H)	H(NCN)	N(PC[6a]NO)(NCH)(H)	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	120.0236	0.446	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(CC[6a]O)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	N(CC[6a]O)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	120.0236	0.446	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(C[6a]C[6a]2)(NHS)(H)	H(NC[6a]N)	N(SC[6a]OO)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NHS)(H)	H(NC[6a]N)	N(SC[6a]OO)(NC[6a]H)(H)	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.0236	0.446	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	N-3:C-3:H-1:	N-3:	C[5]-4:N-3:H-1:	N(NC[5]H)(CNN)(H)	H(NCN)	N(C[5]C[5]N[5]C)(NCH)(H)	N(NC[5]H)(CNN)(H)	H(NCN)	N(C[5]C[5]N[5]C)(NCH)(H)	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	120.0236	0.446	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)(CCO)(NCH)	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)(CCO)(NCH)	120.2950	0.000	1	120.2950	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CCO)(NCC)(H)	H(NCN)	N(CH3)(CNO)(NCH)	N(CCO)(NCC)(H)	H(NCN)	N(CH3)(CNO)(NCH)	119.0320	0.000	1	119.0320	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[5a]HO)(CCO)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[5a]HO)(CCO)(NCH)	117.0900	0.000	1	117.0900	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CCO)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CCO)(NCH)	113.5580	0.000	1	113.5580	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CSS)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CSS)(NCH)	120.0190	0.383	2	120.0190	0.147	2	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CNO)(NCC)(H)	H(NCN)	N(CH3)(CNO)(NCH)	N(CNO)(NCC)(H)	H(NCN)	N(CH3)(CNO)(NCH)	120.4680	0.069	2	120.4680	0.005	2	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC3)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC3)(COO)(NCH)	121.9960	0.000	1	121.9960	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(CNO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(CNO)(NCH)	119.7365	0.258	2	119.7365	0.067	2	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(COO)(NCH)	114.6130	0.000	1	114.6130	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCFF)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCFF)(COO)(NCH)	114.7530	0.000	1	114.7530	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCHH)(CCC)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCHH)(CCC)(NCH)	120.1780	0.000	1	120.1780	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[5a]C[5]H)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[5a]C[5]H)(COO)(NCH)	116.7060	0.000	1	116.7060	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CC)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CC)(COO)(NCH)	117.2620	0.000	1	117.2620	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CH)(CCH)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CH)(CCH)(NCH)	111.3410	0.000	1	111.3410	0.000	1	118.0748	8.917	17	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	S-4:C-3:N-3:	N(COO)(NCS)(H)	H(NCN)	N(SCOO)(COO)(NCH)	N(COO)(NCS)(H)	H(NCN)	N(SCOO)(COO)(NCH)	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	120.4890	0.000	1	120.4890	0.000	1	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	121.5955	0.073	2	121.5955	0.005	2	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	121.1630	0.000	2	121.1630	0.000	2	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	121.0900	0.000	1	121.0900	0.000	1	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]2H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]2H)(COO)(NCH)	117.5463	4.519	4	117.5463	20.420	4	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]O[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]O[5]H)(COO)(NCH)	120.4160	0.000	1	120.4160	0.000	1	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]S[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]S[5]H)(COO)(NCH)	120.0580	0.000	1	120.0580	0.000	1	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	119.6890	0.000	1	119.6890	0.000	1	119.8034	7.862	13	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[6]-4:C-3:N-3:	N(NC[6]C)(COO)(H)	H(NCN)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	N(NC[6]C)(COO)(H)	H(NCN)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	121.4115	0.544	2	121.4115	0.296	2	121.3150	0.176	3	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[6]-4:C-3:N-3:	N(NC[6]C)(COO)(H)	H(NCN)	N(C[6]C[6]2C)(COO)(NCH)	N(NC[6]C)(COO)(H)	H(NCN)	N(C[6]C[6]2C)(COO)(NCH)	121.1220	0.000	1	121.1220	0.000	1	121.3150	0.176	3	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	P[4]-4:C-3:N-3:	N(NP[4]C)(COO)(H)	H(NCN)	N(P[4]N[4]2N)(COO)(NCH)	N(NP[4]C)(COO)(H)	H(NCN)	N(P[4]N[4]2N)(COO)(NCH)	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	119.0811	8.539	35	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:1:1:	C-4:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CCHH)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CCHH)(NOO)(H)	H(NCN)	N(NCH)(O)2	119.1610	0.000	1	119.1610	0.000	1	118.7605	0.321	2	118.7605	0.321	2	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:1:1:	C-4:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CC[6]HH)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CC[6]HH)(NOO)(H)	H(NCN)	N(NCH)(O)2	118.3600	0.000	1	118.3600	0.000	1	118.7605	0.321	2	118.7605	0.321	2	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:2:1:	C-4:N-3:H-1:	N-3:	N-3:N-2:O-1:	N(CH3)(NNO)(H)	H(NCN)	N(NCH)(NO)(O)	N(CH3)(NNO)(H)	H(NCN)	N(NCH)(NO)(O)	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCCH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CCCH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	123.3065	2.955	2	123.3065	8.732	2	123.3640	3.189	4	121.9197	9.755	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	123.4215	0.907	2	123.4215	0.823	2	123.3640	3.189	4	121.9197	9.755	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[5]C[5]N[5]C)(NCH)(H)	H(NC[5]N)	N(NC[5]H)(CNN)(H)	N(C[5]C[5]N[5]C)(NCH)(H)	H(NC[5]N)	N(NC[5]H)(CNN)(H)	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	121.9197	9.755	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(PC[6a]NO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	N(PC[6a]NO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	121.9197	9.755	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[6a]O)(NHS)(H)	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[6a]O)(NHS)(H)	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	121.9197	9.755	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(SC[6a]OO)(NC[6a]H)(H)	H(NNS)	N(C[6a]C[6a]2)(NHS)(H)	N(SC[6a]OO)(NC[6a]H)(H)	H(NNS)	N(C[6a]C[6a]2)(NHS)(H)	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	121.9197	9.755	8	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP2	N	H	N	4:3:1:	3:	4:4:3:	P-4:N-3:H-1:	N-3:	P-4:C-4:N-3:	N(PFeCC)(NCP)(H)	H(NNP)	N(PFeCC)(CH3)(NHP)	N(PFeCC)(NCP)(H)	H(NNP)	N(PFeCC)(CH3)(NHP)	121.8840	0.000	2	121.8840	0.000	2	121.8840	0.000	2	121.8840	0.000	2	118.1791	11.758	525	118.1791	11.758	525
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	120.0230	0.079	2	120.0230	0.006	2	120.0230	0.006	2	120.0230	0.006	2	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CCO)(NHH)(H)	H(NCN)	N(NCH)(H)2	117.2289	2.656	44	117.2289	7.052	44	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[3x6]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[3x6]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	115.6775	7.439	4	115.6775	55.336	4	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[5a]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[5a]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	115.6362	2.260	15	115.6362	5.108	15	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6]C)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6]C)(NHH)(H)	H(NCN)	N(NCH)(H)2	118.8490	0.000	1	118.8490	0.000	1	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6]N)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6]N)(NHH)(H)	H(NCN)	N(NCH)(H)2	121.3530	0.000	1	121.3530	0.000	1	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	116.5879	2.723	14	116.5879	7.414	14	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6a]N)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6a]N)(NHH)(H)	H(NCN)	N(NCH)(H)2	116.3940	0.000	1	116.3940	0.000	1	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6a]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6a]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	115.1630	2.552	113	115.1630	6.515	113	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6a]S)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6a]S)(NHH)(H)	H(NCN)	N(NCH)(H)2	118.1000	0.000	1	118.1000	0.000	1	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CHO)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CHO)(NHH)(H)	H(NCN)	N(NCH)(H)2	119.1020	0.000	1	119.1020	0.000	1	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	120.8972	2.617	152	120.8972	6.847	152	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNO)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNO)(NHH)(H)	H(NCN)	N(NCH)(H)2	118.8196	2.247	9	118.8196	5.048	9	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNS)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNS)(NHH)(H)	H(NCN)	N(NCH)(H)2	119.3457	1.520	14	119.3457	2.309	14	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(COP)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(COP)(NHH)(H)	H(NCN)	N(NCH)(H)2	120.7225	0.964	2	120.7225	0.929	2	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CSS)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CSS)(NHH)(H)	H(NCN)	N(NCH)(H)2	117.5705	2.715	2	117.5705	7.369	2	118.1496	13.078	374	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[5]N[5]2)(NHH)(H)	H(NC[5]N)	N(NC[5]H)(H)2	N(C[5]N[5]2)(NHH)(H)	H(NC[5]N)	N(NC[5]H)(H)2	122.1732	2.365	4	122.1732	5.594	4	122.1732	5.594	4	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[5a]C[5a]N[5a])(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	N(C[5a]C[5a]N[5a])(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	122.2580	0.000	1	122.2580	0.000	1	116.9152	20.618	5	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[5a]N[5a]2)(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	N(C[5a]N[5a]2)(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	117.4580	0.000	1	117.4580	0.000	1	116.9152	20.618	5	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[5a]N[5a]S[5a])(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	N(C[5a]N[5a]S[5a])(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	114.9533	4.587	3	114.9533	21.042	3	116.9152	20.618	5	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6]C[5a,6]2)(NHH)(H)	H(NC[6]N)	N(NC[6]H)(H)2	N(C[6]C[5a,6]2)(NHH)(H)	H(NC[6]N)	N(NC[6]H)(H)2	116.6060	0.000	1	116.6060	0.000	1	116.8903	18.877	6	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6]C[6,6a]N[6])(NHH)(H)	H(NC[6]N)	N(NC[6]H)(H)2	N(C[6]C[6,6a]N[6])(NHH)(H)	H(NC[6]N)	N(NC[6]H)(H)2	117.2712	5.543	4	117.2712	30.730	4	116.8903	18.877	6	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6]C[6]2)(NHH)(H)	H(NC[6]N)	N(NC[6]H)(H)2	N(C[6]C[6]2)(NHH)(H)	H(NC[6]N)	N(NC[6]H)(H)2	115.6510	0.000	1	115.6510	0.000	1	116.8903	18.877	6	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	119.6540	2.332	3	119.6540	5.436	3	118.3782	20.920	17	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	111.1400	2.280	2	111.1400	5.197	2	118.3782	20.920	17	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6a]C[6a]2)(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	N(C[6a]C[6a]2)(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	121.2008	4.010	6	121.2008	16.081	6	118.3782	20.920	17	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[6a]C[6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	N(C[6a]C[6a]N[6a])(NHH)(H)	H(NC[6a]N)	N(NC[6a]H)(H)2	117.3305	3.852	6	117.3305	14.838	6	118.3782	20.920	17	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	Ge[6a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(Ge[6a]N[6a]2)(NHH)(H)	H(NGe[6a]N)	N(NGe[6a]H)(H)2	N(Ge[6a]N[6a]2)(NHH)(H)	H(NGe[6a]N)	N(NGe[6a]H)(H)2	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	118.1662	13.521	407	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCC)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CCC)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	120.0080	0.000	1	120.0080	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	120.3960	0.000	1	120.3960	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCO)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CCO)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	114.2795	0.380	2	114.2795	0.144	2	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	113.5260	0.000	1	113.5260	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	115.3350	0.000	1	115.3350	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]N)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[6a]N)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	117.3490	0.000	1	117.3490	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	115.1260	0.000	1	115.1260	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	114.8770	0.000	1	114.8770	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	116.1133	0.982	3	116.1133	0.965	3	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	123.1960	0.000	1	123.1960	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	120.8190	0.000	1	120.8190	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	118.3980	0.000	1	118.3980	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	115.9210	0.263	2	115.9210	0.069	2	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	113.2695	0.367	2	113.2695	0.135	2	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	117.1035	0.506	2	117.1035	0.256	2	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CPdN)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CPdN)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	117.8750	0.000	1	117.8750	0.000	1	116.6542	6.976	22	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]C[5])(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]C[5])(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	119.7900	0.000	1	119.7900	0.000	1	118.2094	7.037	5	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	117.8143	2.888	4	117.8143	8.342	4	118.2094	7.037	5	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[5]C[5]2)(NC[6a]H)(H)	H(NC[5]N)	N(C[6a]C[6a]2)(NC[5]H)(H)	N(C[5]C[5]2)(NC[6a]H)(H)	H(NC[5]N)	N(C[6a]C[6a]2)(NC[5]H)(H)	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6]C[6,6a]C[6])(NCH)(H)	H(NC[6]N)	N(NC[6]H)(CNS)(H)	N(C[6]C[6,6a]C[6])(NCH)(H)	H(NC[6]N)	N(NC[6]H)(CNS)(H)	116.6050	0.000	1	116.6050	0.000	1	116.6050	0.000	1	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	115.1900	1.575	2	115.1900	2.482	2	115.1900	2.482	2	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	115.3160	1.505	2	115.3160	2.264	2	117.2659	2.549	8	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]N[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]N[6a]2)(NCH)(H)	117.5830	0.000	1	117.5830	0.000	1	117.2659	2.549	8	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CC[5]C)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CC[5]C)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	117.4300	0.000	1	117.4300	0.000	1	117.2659	2.549	8	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNS)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(CNS)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	119.3470	0.000	1	119.3470	0.000	1	117.2659	2.549	8	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	116.3410	0.000	1	116.3410	0.000	1	117.2659	2.549	8	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CSS)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CSS)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	118.3970	0.321	2	118.3970	0.103	2	117.2659	2.549	8	116.9296	5.671	40	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]O)(NC[6a]2)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	N(CC[6a]O)(NC[6a]2)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	116.6110	12.676	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	119.8500	0.000	1	119.8500	0.000	1	119.8500	0.000	1	116.6110	12.676	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:P-3:	N(C[6a]C[6a]2)(NC[6a]P)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	N(C[6a]C[6a]2)(NC[6a]P)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	113.0270	0.000	2	113.0270	0.000	2	113.0270	0.000	2	116.6110	12.676	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	N-3:P-3:P-3:	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	H(NC[6a]N)	N(NC[6a]H)(PC[6a]2)2	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	H(NC[6a]N)	N(NC[6a]H)(PC[6a]2)2	116.7310	0.000	1	116.7310	0.000	1	116.7310	0.000	1	116.6110	12.676	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-4:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CC3)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CC3)(H)	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	N-3:	C-3:C-4:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[6a]O)(CCCH)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[6a]O)(CCCH)(NCH)	120.7315	0.443	2	120.7315	0.197	2	120.7315	0.197	2	120.2793	0.636	4	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(NCC)(H)	H(NC[6a]N)	N(NC[6a]H)(CCHO)(COO)	N(C[6a]C[6a]2)(NCC)(H)	H(NC[6a]N)	N(NC[6a]H)(CCHO)(COO)	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	120.2793	0.636	4	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-4:N-3:	N(NC[6a]C)(CCC)(H)	H(NCN)	N(C[6a]C[6a]2)(CH3)(NCH)	N(NC[6a]C)(CCC)(H)	H(NCN)	N(C[6a]C[6a]2)(CH3)(NCH)	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	120.2793	0.636	4	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(NCC)(H)	H(NC[6a]N)	N(NC[6a]H)(CH3)2	N(C[6a]C[6a]2)(NCC)(H)	H(NC[6a]N)	N(NC[6a]H)(CH3)2	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[5]O)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	N(CC[5]O)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	119.2300	0.000	1	119.2300	0.000	1	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	118.0495	2.369	4	118.0495	5.611	4	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	111.1920	0.000	1	111.1920	0.000	1	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CH3)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CH3)(NCH)(H)	113.3525	0.968	2	113.3525	0.937	2	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(CHHN)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(CHHN)(NCH)(H)	122.1100	0.000	1	122.1100	0.000	1	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	114.8495	13.818	2	114.8495	190.925	2	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CCHH)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CCHH)(NCH)(H)	124.3650	0.000	1	124.3650	0.000	1	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	119.2540	0.000	1	119.2540	0.000	1	117.2887	31.002	13	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C[6]-4:N-3:H-1:	N(CC[6a]O)(NC[6]H)(H)	H(NCN)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	N(CC[6a]O)(NC[6]H)(H)	H(NCN)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	119.3060	0.000	1	119.3060	0.000	1	119.3060	0.000	1	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(CCO)(NHP)(H)	H(NCN)	N(POOS)(NCH)(H)	N(CCO)(NHP)(H)	H(NCN)	N(POOS)(NCH)(H)	115.6110	0.000	1	115.6110	0.000	1	117.7374	2.907	5	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(CC[5a]O)(NHP)(H)	H(NCN)	N(PC[6a]2O)(NCH)(H)	N(CC[5a]O)(NHP)(H)	H(NCN)	N(PC[6a]2O)(NCH)(H)	116.6620	0.000	1	116.6620	0.000	1	117.7374	2.907	5	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(COO)(NHP)(H)	H(NCN)	N(PC[6a]NO)(NCH)(H)	N(COO)(NHP)(H)	H(NCN)	N(PC[6a]NO)(NCH)(H)	119.1640	0.000	1	119.1640	0.000	1	117.7374	2.907	5	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(COO)(NHP)(H)	H(NCN)	N(PNOO)(NCH)(H)	N(COO)(NHP)(H)	H(NCN)	N(PNOO)(NCH)(H)	119.7060	0.000	1	119.7060	0.000	1	117.7374	2.907	5	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(COO)(NHP)(H)	H(NCN)	N(PO3)(NCH)(H)	N(COO)(NHP)(H)	H(NCN)	N(PO3)(NCH)(H)	117.5440	0.000	1	117.5440	0.000	1	117.7374	2.907	5	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(CC[5]C)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	N(CC[5]C)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	121.1160	0.522	2	121.1160	0.272	2	119.2148	13.366	6	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(CC[5a]O)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	N(CC[5a]O)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	120.7520	0.000	1	120.7520	0.000	1	119.2148	13.366	6	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(CC[6]C)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	N(CC[6]C)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	123.0440	0.000	1	123.0440	0.000	1	119.2148	13.366	6	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(CC[6a]O)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	N(CC[6a]O)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	114.2620	0.000	1	114.2620	0.000	1	119.2148	13.366	6	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(CPdN)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	N(CPdN)(NHS)(H)	H(NCN)	N(SC[6a]OO)(NCH)(H)	114.9990	0.000	1	114.9990	0.000	1	119.2148	13.366	6	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(C[5]N[5]S[5])(NHS)(H)	H(NC[5]N)	N(SC[6a]OO)(NC[5]H)(H)	N(C[5]N[5]S[5])(NHS)(H)	H(NC[5]N)	N(SC[6a]OO)(NC[5]H)(H)	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(C[5a]C[5a]N[5a])(NHS)(H)	H(NC[5a]N)	N(SC[6a]OO)(NC[5a]H)(H)	N(C[5a]C[5a]N[5a])(NHS)(H)	H(NC[5a]N)	N(SC[6a]OO)(NC[5a]H)(H)	121.5595	0.019	2	121.5595	0.000	2	121.2375	0.213	4	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(C[5a]N[5a]S[5a])(NHS)(H)	H(NC[5a]N)	N(SC[6a]OO)(NC[5a]H)(H)	N(C[5a]N[5a]S[5a])(NHS)(H)	H(NC[5a]N)	N(SC[6a]OO)(NC[5a]H)(H)	120.9155	0.474	2	120.9155	0.225	2	121.2375	0.213	4	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[6]-4:N-3:H-1:	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	H(NC[6a]N)	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	H(NC[6a]N)	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	117.3450	0.000	1	117.3450	0.000	1	117.3450	0.000	1	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	N-3:C-3:H-1:	N-3:	C[6]-4:N-3:H-1:	N(NC[6]H)(CCO)(H)	H(NCN)	N(C[6]C[5a]C[6]2)(NCH)(H)	N(NC[6]H)(CCO)(H)	H(NCN)	N(C[6]C[5a]C[6]2)(NCH)(H)	120.4890	0.000	1	120.4890	0.000	1	121.7095	2.979	2	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	N-3:C-3:H-1:	N-3:	C[6]-4:N-3:H-1:	N(NC[6]H)(COO)(H)	H(NCN)	N(C[6]C[5a]C[6]2)(NCH)(H)	N(NC[6]H)(COO)(H)	H(NCN)	N(C[6]C[5a]C[6]2)(NCH)(H)	122.9300	0.000	1	122.9300	0.000	1	121.7095	2.979	2	118.5798	16.634	33	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)(CNO)(NCH)	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)(CNO)(NCH)	118.9840	0.000	1	118.9840	0.000	1	120.0363	0.875	3	120.5344	1.109	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCHH)(CCC)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCHH)(CCC)(NCH)	120.3510	0.000	1	120.3510	0.000	1	120.0363	0.875	3	120.5344	1.109	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CH3)(CNO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CH3)(CNO)(NCH)	120.7740	0.000	1	120.7740	0.000	1	120.0363	0.875	3	120.5344	1.109	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[3x4]-4:C-3:N-3:	N(NC[3x4]C)(COO)(H)	H(NCN)	N(C[3x4]C[4,4]3)(COO)(NCH)	N(NC[3x4]C)(COO)(H)	H(NCN)	N(C[3x4]C[4,4]3)(COO)(NCH)	121.9230	0.000	1	121.9230	0.000	1	121.9230	0.000	1	120.5344	1.109	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]2C)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]2C)(COO)(NCH)	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	120.5344	1.109	5	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CCH)(NCC)(H)	H(NCN)	N(CH3)2(NCH)	N(CCH)(NCC)(H)	H(NCN)	N(CH3)2(NCH)	119.7190	0.000	1	119.7190	0.000	1	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)(CH3)(NCH)	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)(CH3)(NCH)	117.8477	0.818	3	117.8477	0.670	3	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)2(NCH)	N(CCO)(NCC)(H)	H(NCN)	N(CCHH)2(NCH)	120.0203	0.342	4	120.0203	0.117	4	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CCO)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCHH)(NCH)	N(CCO)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCHH)(NCH)	120.5995	2.563	31	120.5995	6.570	31	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CC[5]C)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCHH)(NCH)	N(CC[5]C)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCHH)(NCH)	112.7145	0.152	2	112.7145	0.023	2	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CC[5]C)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CH3)(NCH)	N(CC[5]C)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CH3)(NCH)	112.2400	0.000	1	112.2400	0.000	1	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CC[6a]C[5])(NCC)(H)	H(NCN)	N(CC[6a]HH)(CH3)(NCH)	N(CC[6a]C[5])(NCC)(H)	H(NCN)	N(CC[6a]HH)(CH3)(NCH)	112.8185	1.049	2	112.8185	1.100	2	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[6a]CH)(CC[6a]HH)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CC[6a]CH)(CC[6a]HH)(NCH)	113.8610	0.000	1	113.8610	0.000	1	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)2(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)2(NCH)	119.8477	1.241	3	119.8477	1.540	3	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(CNO)(NCC)(H)	H(NCN)	N(CCHH)2(NCH)	N(CNO)(NCC)(H)	H(NCN)	N(CCHH)2(NCH)	120.7349	1.298	15	120.7349	1.684	15	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(CCHH)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(CCHH)(NCH)	120.2250	0.000	1	120.2250	0.000	1	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCCH)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCCH)(NCH)	119.3260	0.000	1	119.3260	0.000	1	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCHH)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]HH)(CCHH)(NCH)	119.4177	0.770	3	119.4177	0.593	3	119.6686	8.393	68	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	P-4:C-4:N-3:	N(CC[6]H)(NCP)(H)	H(NCN)	N(POOS)(CH3)(NCH)	N(CC[6]H)(NCP)(H)	H(NCN)	N(POOS)(CH3)(NCH)	122.7220	0.000	1	122.7220	0.000	1	120.1150	13.593	2	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	P-4:C-4:N-3:	N(CC[6a]O)(NCP)(H)	H(NCN)	N(POOS)(CH3)(NCH)	N(CC[6a]O)(NCP)(H)	H(NCN)	N(POOS)(CH3)(NCH)	117.5080	0.000	1	117.5080	0.000	1	120.1150	13.593	2	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	S-4:C-4:N-3:	N(CC[6a]O)(NCS)(H)	H(NCN)	N(SC[6a]OO)(CH3)(NCH)	N(CC[6a]O)(NCS)(H)	H(NCN)	N(SC[6a]OO)(CH3)(NCH)	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	119.7008	8.259	71	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	4:3:1:	3:	3:1:1:	Si[6]-4:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(Si[6]N[6]2H)(NHH)(H)	H(NSi[6]N)	N(NSi[6]H)(H)2	N(Si[6]N[6]2H)(NHH)(H)	H(NSi[6]N)	N(NSi[6]H)(H)2	115.9050	0.000	1	115.9050	0.000	1	115.9050	0.000	1	115.9050	0.000	1	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(PNOO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	N(PNOO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	114.6050	0.000	1	114.6050	0.000	1	114.6050	0.000	1	114.6050	0.000	1	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Ga[4]-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(Ga[4]N[4]2N)(NCC)(H)	H(NGa[4]N)	N(NGa[4]H)(CH3)2	N(Ga[4]N[4]2N)(NCC)(H)	H(NGa[4]N)	N(NGa[4]H)(CH3)2	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	117.1417	14.739	3	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Si-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(SiC[6a]ClN)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	N(SiC[6a]ClN)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	116.6450	0.000	1	116.6450	0.000	1	115.1100	4.712	2	117.1417	14.739	3	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP2_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Si-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(SiHNN)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	N(SiHNN)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	113.5750	0.000	1	113.5750	0.000	1	115.1100	4.712	2	117.1417	14.739	3	118.3076	12.613	574	118.3076	12.613	574
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CCO)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CCO)(NHH)(H)	106.9086	2.320	88	106.9086	5.382	88	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[3x6]O)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[3x6]O)(NHH)(H)	106.1637	5.727	8	106.1637	32.796	8	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[5a]O)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[5a]O)(NHH)(H)	108.3057	3.579	30	108.3057	12.807	30	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6]C)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6]C)(NHH)(H)	107.6580	6.481	2	107.6580	42.008	2	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6]N)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6]N)(NHH)(H)	109.0085	10.251	2	109.0085	105.082	2	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6]O)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6]O)(NHH)(H)	107.7133	3.004	28	107.7133	9.022	28	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6a]N)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6a]N)(NHH)(H)	104.5105	0.517	2	104.5105	0.267	2	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6a]O)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6a]O)(NHH)(H)	107.8956	3.424	226	107.8956	11.726	226	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6a]S)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6a]S)(NHH)(H)	106.3500	0.223	2	106.3500	0.050	2	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CHO)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CHO)(NHH)(H)	105.8775	2.996	2	105.8775	8.976	2	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	108.2055	3.341	299	108.2055	11.160	299	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNO)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNO)(NHH)(H)	107.8875	1.224	18	107.8875	1.497	18	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNS)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNS)(NHH)(H)	110.2437	5.650	28	110.2437	31.923	28	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(COP)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(COP)(NHH)(H)	109.0692	1.160	4	109.0692	1.347	4	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CSS)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CSS)(NHH)(H)	116.9483	3.527	4	116.9483	12.437	4	108.0215	12.157	743	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[5]-3:N-3:H-1:	N(NC[5]H)(H)2	H(NHN)	N(C[5]N[5]2)(NHH)(H)	N(NC[5]H)(H)2	H(NHN)	N(C[5]N[5]2)(NHH)(H)	106.8346	1.839	8	106.8346	3.384	8	106.8346	3.384	8	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]C[5a]N[5a])(NHH)(H)	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]C[5a]N[5a])(NHH)(H)	108.3735	3.466	2	108.3735	12.010	2	109.2992	2.748	10	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]N[5a]2)(NHH)(H)	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]N[5a]2)(NHH)(H)	109.3475	0.180	2	109.3475	0.033	2	109.2992	2.748	10	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]N[5a]S[5a])(NHH)(H)	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]N[5a]S[5a])(NHH)(H)	109.5917	1.446	6	109.5917	2.091	6	109.2992	2.748	10	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(H)2	H(NHN)	N(C[6]C[5a,6]2)(NHH)(H)	N(NC[6]H)(H)2	H(NHN)	N(C[6]C[5a,6]2)(NHH)(H)	109.3340	0.205	2	109.3340	0.042	2	107.6532	18.413	11	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(H)2	H(NHN)	N(C[6]C[6,6a]N[6])(NHH)(H)	N(NC[6]H)(H)2	H(NHN)	N(C[6]C[6,6a]N[6])(NHH)(H)	107.1520	5.014	8	107.1520	25.144	8	107.6532	18.413	11	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(H)2	H(NHN)	N(C[6]C[6]2)(NHH)(H)	N(NC[6]H)(H)2	H(NHN)	N(C[6]C[6]2)(NHH)(H)	108.3010	0.000	1	108.3010	0.000	1	107.6532	18.413	11	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	106.4871	5.417	5	106.4871	29.341	5	106.9851	13.336	33	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	108.0973	1.023	4	108.0973	1.047	4	106.9851	13.336	33	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a]2)(NHH)(H)	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a]2)(NHH)(H)	106.5447	3.437	12	106.5447	11.810	12	106.9851	13.336	33	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a]N[6a])(NHH)(H)	N(NC[6a]H)(H)2	H(NHN)	N(C[6a]C[6a]N[6a])(NHH)(H)	107.2623	3.895	12	107.2623	15.173	12	106.9851	13.336	33	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	Ge[6a]-3:N-3:H-1:	N(NGe[6a]H)(H)2	H(NHN)	N(Ge[6a]N[6a]2)(NHH)(H)	N(NGe[6a]H)(H)2	H(NHN)	N(Ge[6a]N[6a]2)(NHH)(H)	123.5825	1.784	2	123.5825	3.183	2	123.5825	3.183	2	108.0167	12.695	807	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:H-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(NC[6a]2)(H)2	H(NHN)	N(C[6a]C[6a]2)2(NHH)	N(NC[6a]2)(H)2	H(NHN)	N(C[6a]C[6a]2)2(NHH)	112.3950	6.278	6	112.3950	39.416	6	112.3950	39.416	6	112.3950	39.416	6	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	N-3:	C-3:C-4:N-3:	N(NCC)(H)2	H(NHN)	N(CC[5]O)(CCCH)(NHH)	N(NCC)(H)2	H(NHN)	N(CC[5]O)(CCCH)(NHH)	101.4500	0.331	2	101.4500	0.110	2	101.4500	0.110	2	111.3308	50.016	12	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	N-3:	C[5]-3:S-4:N-3:	N(NC[5]S)(H)2	H(NHN)	N(C[5]C[5]2)(SC[6a]OO)(NHH)	N(NC[5]S)(H)2	H(NHN)	N(C[5]C[5]2)(SC[6a]OO)(NHH)	120.0045	0.021	2	120.0045	0.000	2	120.0045	0.000	2	111.3308	50.016	12	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(H)2	H(NHN)	N(C[5a]N[5a]2)(CH3)(NHH)	N(NC[5a]C)(H)2	H(NHN)	N(C[5a]N[5a]2)(CH3)(NHH)	106.6530	0.358	2	106.6530	0.128	2	106.6530	0.128	2	111.3308	50.016	12	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	N-3:	C[6a]-3:C-4:N-3:	N(NC[6a]C)(H)2	H(NHN)	N(C[6a]C[6a]N[6a])(CH3)(NHH)	N(NC[6a]C)(H)2	H(NHN)	N(C[6a]C[6a]N[6a])(CH3)(NHH)	113.2923	5.241	6	113.2923	27.472	6	113.2923	27.472	6	111.3308	50.016	12	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:H-1:	N-3:	Si[6]-4:N-3:H-1:	N(NSi[6]H)(H)2	H(NHN)	N(Si[6]N[6]2H)(NHH)(H)	N(NSi[6]H)(H)2	H(NHN)	N(Si[6]N[6]2H)(NHH)(H)	107.4325	3.098	2	107.4325	9.597	2	107.4325	9.597	2	107.4325	9.597	2	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:H-1:	N-3:	C-4:C-3:N-3:	N(NCC)(H)2	H(NHN)	N(CH3)(CNS)(NHH)	N(NCC)(H)2	H(NHN)	N(CH3)(CNS)(NHH)	108.3480	0.679	4	108.3480	0.460	4	108.3480	0.460	4	108.3159	2.041	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:H-1:	N-3:	S-4:C-3:N-3:	N(NCS)(H)2	H(NHN)	N(SC[6a]OO)(CCO)(NHH)	N(NCS)(H)2	H(NHN)	N(SC[6a]OO)(CCO)(NHH)	108.2837	2.074	4	108.2837	4.300	4	108.2837	4.300	4	108.3159	2.041	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	N-3:	P-4:C-4:N-3:	N(NCP)(H)2	H(NHN)	N(PNNO)(CH3)(NHH)	N(NCP)(H)2	H(NHN)	N(PNNO)(CH3)(NHH)	106.9910	2.028	2	106.9910	4.113	2	106.9910	4.113	2	106.9910	4.113	2	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	111.5951	11.581	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CNO)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CNO)(NOO)(H)	H(NCN)	N(NCH)(O)2	109.7100	0.000	2	109.7100	0.000	2	109.7100	0.000	2	111.5951	11.581	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[5]C[5]N[5])(NOO)(H)	H(NC[5]N)	N(NC[5]H)(O)2	N(C[5]C[5]N[5])(NOO)(H)	H(NC[5]N)	N(NC[5]H)(O)2	111.6385	1.303	2	111.6385	1.698	2	111.6385	1.698	2	111.5951	11.581	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)(H)	H(NC[5a]N)	N(NC[5a]H)(O)2	N(C[5a]C[5a]N[5a])(NOO)(H)	H(NC[5a]N)	N(NC[5a]H)(O)2	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	111.5951	11.581	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[6]C[5a,6]N[6])(NOO)(H)	H(NC[6]N)	N(NC[6]H)(O)2	N(C[6]C[5a,6]N[6])(NOO)(H)	H(NC[6]N)	N(NC[6]H)(O)2	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	111.5951	11.581	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(C[6a]C[6a]2)(NOO)(H)	H(NC[6a]N)	N(NC[6a]H)(O)2	N(C[6a]C[6a]2)(NOO)(H)	H(NC[6a]N)	N(NC[6a]H)(O)2	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	111.5951	11.581	8	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	115.3810	0.000	1	115.3810	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCC)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCC)(NCH)(H)	111.2900	0.000	1	111.2900	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	114.5840	0.000	1	114.5840	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6]O)(NCH)(H)	115.1830	0.000	1	115.1830	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	114.5530	0.000	1	114.5530	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	115.6690	0.000	1	115.6690	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	112.4975	1.872	2	112.4975	3.503	2	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CPdN)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CPdN)(NCH)(H)	114.3690	0.000	1	114.3690	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	113.5007	1.293	3	113.5007	1.672	3	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	117.1350	0.000	1	117.1350	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	115.2320	0.000	1	115.2320	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CCO)(NCH)(H)	114.6790	1.172	2	114.6790	1.374	2	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	115.2220	0.000	1	115.2220	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]N)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]N)(NCH)(H)	114.5280	0.000	1	114.5280	0.000	1	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	114.0225	0.438	2	114.0225	0.192	2	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	115.4075	1.337	2	115.4075	1.788	2	114.4028	2.101	22	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	113.6890	0.103	2	113.6890	0.011	2	113.6890	0.011	2	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]C[5])(NC[6a]H)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]C[5])(NC[6a]H)(H)	110.4530	0.000	1	110.4530	0.000	1	110.6936	1.276	5	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	110.7537	1.295	4	110.7537	1.677	4	110.6936	1.276	5	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[5]H)(H)	H(NC[6a]N)	N(C[5]C[5]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NC[5]H)(H)	H(NC[6a]N)	N(C[5]C[5]2)(NC[6a]H)(H)	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	110.1310	0.460	2	110.1310	0.211	2	111.4346	9.521	8	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CC[5]C)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CC[5]C)(H)	111.8620	0.000	1	111.8620	0.000	1	111.4346	9.521	8	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(COO)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(COO)(H)	108.6240	0.000	1	108.6240	0.000	1	111.4346	9.521	8	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CSS)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CSS)(H)	109.5310	2.318	2	109.5310	5.373	2	111.4346	9.521	8	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNS)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNS)(H)	117.1810	0.000	1	117.1810	0.000	1	111.4346	9.521	8	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]N[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	N(C[6a]N[6a]2)(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CCO)(H)	114.4860	0.000	1	114.4860	0.000	1	111.4346	9.521	8	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(CNS)(H)	H(NCN)	N(C[6]C[6,6a]C[6])(NCH)(H)	N(NC[6]H)(CNS)(H)	H(NCN)	N(C[6]C[6,6a]C[6])(NCH)(H)	117.2540	0.000	1	117.2540	0.000	1	117.2540	0.000	1	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CCO)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	113.3200	6.076	40	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C-3:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCN)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCN)(COO)(NCH)	115.5550	0.000	1	115.5550	0.000	1	115.5550	0.000	1	112.7530	31.814	7	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]O)(NC[6a]2)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	N(CC[6a]O)(NC[6a]2)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	112.7530	31.814	7	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	N(C[6a]C[6a]2)(NC[6a]C)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	102.4700	0.000	1	102.4700	0.000	1	102.4700	0.000	1	112.7530	31.814	7	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	111.2580	0.000	1	111.2580	0.000	1	113.8328	20.877	4	112.7530	31.814	7	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(COO)(NCH)	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]C[6a]2)(COO)(NCH)	117.6260	1.451	2	117.6260	2.105	2	113.8328	20.877	4	112.7530	31.814	7	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	N-3:	C[6a]-3:C-3:N-3:	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	N(NC[6a]C)(COO)(H)	H(NCN)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	108.8210	0.000	1	108.8210	0.000	1	113.8328	20.877	4	112.7530	31.814	7	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(COO)(NHP)(H)	H(NCN)	N(PNOO)(NCH)(H)	N(COO)(NHP)(H)	H(NCN)	N(PNOO)(NCH)(H)	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CCO)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CCO)(NCH)	113.0770	0.000	1	113.0770	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CSS)(NCH)	N(CC[6a]O)(NCC)(H)	H(NCN)	N(CH3)(CSS)(NCH)	113.9440	0.000	1	113.9440	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(COO)(NCH)	104.4960	0.000	1	104.4960	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCCN)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCCN)(COO)(NCH)	113.4580	0.000	1	113.4580	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCHH)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCHH)(COO)(NCH)	115.3730	0.000	1	115.3730	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CC)(COO)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CC)(COO)(NCH)	116.2520	0.000	1	116.2520	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CH)(CCH)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CC[6a]CH)(CCH)(NCH)	108.8720	0.000	1	108.8720	0.000	1	112.2103	17.051	7	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	114.1810	0.000	1	114.1810	0.000	1	115.4334	2.802	5	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]2H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]2H)(COO)(NCH)	115.8585	2.753	2	115.8585	7.578	2	115.4334	2.802	5	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]N[5]C)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]N[5]C)(COO)(NCH)	114.7350	0.000	1	114.7350	0.000	1	115.4334	2.802	5	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	C[5]-4:C-3:N-3:	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]O[5]H)(COO)(NCH)	N(NC[5]C)(COO)(H)	H(NCN)	N(C[5]C[5]O[5]H)(COO)(NCH)	116.5340	0.000	1	116.5340	0.000	1	115.4334	2.802	5	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	N-3:	P[4]-4:C-3:N-3:	N(NP[4]C)(COO)(H)	H(NCN)	N(P[4]N[4]2N)(COO)(NCH)	N(NP[4]C)(COO)(H)	H(NCN)	N(P[4]N[4]2N)(COO)(NCH)	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	113.1362	14.246	13	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	3:4:1:	3:	3:3:1:	N-3:C-4:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CC3)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(NC[6a]H)(CC3)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:1:1:	C-4:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CCCH)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CCCH)(NOO)(H)	H(NCN)	N(NCH)(O)2	115.2820	4.220	2	115.2820	17.809	2	116.1987	13.513	6	116.1987	13.513	6	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:1:1:	C-4:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CCHH)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CCHH)(NOO)(H)	H(NCN)	N(NCH)(O)2	115.8683	4.459	3	115.8683	19.887	3	116.1987	13.513	6	116.1987	13.513	6	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:1:1:	C-4:N-3:H-1:	N-3:	N-3:O-1:O-1:	N(CC[6a]HH)(NOO)(H)	H(NCN)	N(NCH)(O)2	N(CC[6a]HH)(NOO)(H)	H(NCN)	N(NCH)(O)2	119.0230	0.000	1	119.0230	0.000	1	116.1987	13.513	6	116.1987	13.513	6	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:2:1:	C-4:N-3:H-1:	N-3:	N-3:N-2:O-1:	N(CH3)(NNO)(H)	H(NCN)	N(NCH)(NO)(O)	N(CH3)(NNO)(H)	H(NCN)	N(NCH)(NO)(O)	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	113.4015	150.911	2	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:2:1:	C[6]-4:N-3:H-1:	N-3:	N-3:N-2:O-1:	N(C[6]C[6]2H)(NNO)(H)	H(NC[6]N)	N(NC[6]H)(NO)(O)	N(C[6]C[6]2H)(NNO)(H)	H(NC[6]N)	N(NC[6]H)(NO)(O)	104.7150	0.000	1	104.7150	0.000	1	104.7150	0.000	1	113.4015	150.911	2	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCCH)(NCH)(H)	H(NCN)	N(CC[5]O)(NCH)(H)	N(CCCH)(NCH)(H)	H(NCN)	N(CC[5]O)(NCH)(H)	87.3003	0.000	1	87.3003	0.000	1	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCCH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CCCH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	114.4373	10.754	4	114.4373	115.650	4	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCCH)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CCCH)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	105.2705	0.947	2	105.2705	0.896	2	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCHH)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CCHH)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	107.6790	0.000	1	107.6790	0.000	1	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	100.7650	0.000	1	100.7650	0.000	1	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	110.5150	0.000	1	110.5150	0.000	1	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CH3)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CH3)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	104.1860	1.921	2	104.1860	3.688	2	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CHHN)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(CHHN)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	109.1030	0.000	1	109.1030	0.000	1	107.0788	86.560	13	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6]C[6,6a]C[6]H)(NCH)(H)	H(NC[6]N)	N(CC[6a]O)(NC[6]H)(H)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	H(NC[6]N)	N(CC[6a]O)(NC[6]H)(H)	113.1610	0.000	1	113.1610	0.000	1	113.1610	0.000	1	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	H(NC[6]N)	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	H(NC[6]N)	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6]C[5a]C[6]2)(NCH)(H)	H(NC[6]N)	N(NC[6]H)(CCO)(H)	N(C[6]C[5a]C[6]2)(NCH)(H)	H(NC[6]N)	N(NC[6]H)(CCO)(H)	107.5560	0.000	1	107.5560	0.000	1	108.0810	0.551	2	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6]C[5a]C[6]2)(NCH)(H)	H(NC[6]N)	N(NC[6]H)(COO)(H)	N(C[6]C[5a]C[6]2)(NCH)(H)	H(NC[6]N)	N(NC[6]H)(COO)(H)	108.6060	0.000	1	108.6060	0.000	1	108.0810	0.551	2	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(PC[6a]2O)(NCH)(H)	H(NNP)	N(CC[5a]O)(NHP)(H)	N(PC[6a]2O)(NCH)(H)	H(NNP)	N(CC[5a]O)(NHP)(H)	113.0570	0.000	1	113.0570	0.000	1	113.9006	7.387	5	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(PC[6a]NO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	N(PC[6a]NO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	110.9110	0.000	1	110.9110	0.000	1	113.9006	7.387	5	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(PNOO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	N(PNOO)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	112.0680	0.000	1	112.0680	0.000	1	113.9006	7.387	5	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(PO3)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	N(PO3)(NCH)(H)	H(NNP)	N(COO)(NHP)(H)	116.2390	0.000	1	116.2390	0.000	1	113.9006	7.387	5	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(POOS)(NCH)(H)	H(NNP)	N(CCO)(NHP)(H)	N(POOS)(NCH)(H)	H(NNP)	N(CCO)(NHP)(H)	117.2280	0.000	1	117.2280	0.000	1	113.9006	7.387	5	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[5]C)(NHS)(H)	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[5]C)(NHS)(H)	108.2430	3.596	2	108.2430	12.934	2	111.7337	17.747	6	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[5a]O)(NHS)(H)	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[5a]O)(NHS)(H)	118.7590	0.000	1	118.7590	0.000	1	111.7337	17.747	6	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[6]C)(NHS)(H)	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[6]C)(NHS)(H)	110.7060	0.000	1	110.7060	0.000	1	111.7337	17.747	6	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[6a]O)(NHS)(H)	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CC[6a]O)(NHS)(H)	111.7080	0.000	1	111.7080	0.000	1	111.7337	17.747	6	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CPdN)(NHS)(H)	N(SC[6a]OO)(NCH)(H)	H(NNS)	N(CPdN)(NHS)(H)	112.7430	0.000	1	112.7430	0.000	1	111.7337	17.747	6	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C[5]-3:N-3:H-1:	N(SC[6a]OO)(NC[5]H)(H)	H(NNS)	N(C[5]N[5]S[5])(NHS)(H)	N(SC[6a]OO)(NC[5]H)(H)	H(NNS)	N(C[5]N[5]S[5])(NHS)(H)	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(SC[6a]OO)(NC[5a]H)(H)	H(NNS)	N(C[5a]C[5a]N[5a])(NHS)(H)	N(SC[6a]OO)(NC[5a]H)(H)	H(NNS)	N(C[5a]C[5a]N[5a])(NHS)(H)	125.5670	3.650	2	125.5670	13.323	2	119.8100	49.132	4	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:1:	S-4:N-3:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(SC[6a]OO)(NC[5a]H)(H)	H(NNS)	N(C[5a]N[5a]S[5a])(NHS)(H)	N(SC[6a]OO)(NC[5a]H)(H)	H(NNS)	N(C[5a]N[5a]S[5a])(NHS)(H)	114.0530	1.225	2	114.0530	1.500	2	119.8100	49.132	4	111.0008	59.109	33	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	3:3:3:	C-4:N-3:H-1:	N-3:	P-3:P-3:N-3:	N(CC3)(NPP)(H)	H(NCN)	N(PC[6a]2)2(NCH)	N(CC3)(NPP)(H)	H(NCN)	N(PC[6a]2)2(NCH)	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	4:3:3:	C-4:N-3:H-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]HH)(NCC)(H)	H(NCN)	N(CCHH)(CCO)(NCH)	N(CC[6a]HH)(NCC)(H)	H(NCN)	N(CCHH)(CCO)(NCH)	109.6973	1.015	3	109.6973	1.030	3	109.6973	1.030	3	109.6973	1.030	3	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP2	N	H	N	4:3:1:	3:	4:4:3:	P-4:N-3:H-1:	N-3:	P-4:C-4:N-3:	N(PCoCC)(NCP)(H)	H(NNP)	N(PCoCC)(CH3)(NHP)	N(PCoCC)(NCP)(H)	H(NNP)	N(PCoCC)(CH3)(NHP)	108.4130	0.281	4	108.4130	0.079	4	108.4130	0.079	4	108.4130	0.079	4	108.6233	17.025	956	108.6233	17.025	956
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	3:1:1:	N-3:H-1:H-1:	N-3:	N-3:H-1:H-1:	N(NHH)(H)2	H(NHN)	N(NHH)(H)2	N(NHH)(H)2	H(NHN)	N(NHH)(H)2	106.6036	4.150	34	106.6036	17.219	34	106.6036	17.219	34	106.6036	17.219	34	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CCO)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CCO)(NHH)(H)	106.7755	2.309	2	106.7755	5.330	2	110.0590	19.586	12	109.4779	18.942	14	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CC[6a]O)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CC[6a]O)(NHH)(H)	110.9980	9.001	2	110.9980	81.026	2	110.0590	19.586	12	109.4779	18.942	14	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C-3:N-3:H-1:	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	N(NCH)(H)2	H(NHN)	N(CNN)(NHH)(H)	110.6451	3.836	8	110.6451	14.716	8	110.0590	19.586	12	109.4779	18.942	14	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:H-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]N[5a]S[5a])(NHH)(H)	N(NC[5a]H)(H)2	H(NHN)	N(C[5a]N[5a]S[5a])(NHH)(H)	105.9910	1.561	2	105.9910	2.438	2	105.9910	2.438	2	109.4779	18.942	14	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:H-1:	N-3:	C[6]-3:C-3:N-3:	N(NC[6]C)(H)2	H(NHN)	N(C[6]C[6]2)(CC[6]C)(NHH)	N(NC[6]C)(H)2	H(NHN)	N(C[6]C[6]2)(CC[6]C)(NHH)	110.3895	0.558	2	110.3895	0.311	2	110.3895	0.311	2	110.3895	0.311	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:H-1:	N-3:	Ge-4:N-3:H-1:	N(NGeH)(H)2	H(NHN)	N(GeC[6a]2H)(NHH)(H)	N(NGeH)(H)2	H(NHN)	N(GeC[6a]2H)(NHH)(H)	112.3010	0.448	2	112.3010	0.201	2	112.3010	0.201	2	110.4915	6.486	4	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:H-1:	N-3:	S-4:N-3:H-1:	N(NHS)(H)2	H(NHN)	N(SC[6a]OO)(NHH)(H)	N(NHS)(H)2	H(NHN)	N(SC[6a]OO)(NHH)(H)	108.6820	2.482	2	108.6820	6.160	2	108.6820	6.160	2	110.4915	6.486	4	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	N-3:	P-4:C-4:N-3:	N(NCP)(H)2	H(NHN)	N(PNNO)(CH3)(NHH)	N(NCP)(H)2	H(NHN)	N(PNNO)(CH3)(NHH)	108.2332	1.814	4	108.2332	3.290	4	108.2420	10.842	6	107.7358	4.478	22	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	N-3:	P-4:C-4:N-3:	N(NCP)(H)2	H(NHN)	N(PNNS)(CH3)(NHH)	N(NCP)(H)2	H(NHN)	N(PNNS)(CH3)(NHH)	108.2595	6.659	2	108.2595	44.340	2	108.2420	10.842	6	107.7358	4.478	22	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	N-3:	P-4:P-4:N-3:	N(NPP)(H)2	H(NHN)	N(PC[6a]2O)2(NHH)	N(NPP)(H)2	H(NHN)	N(PC[6a]2O)2(NHH)	105.4520	0.330	2	105.4520	0.109	2	107.1970	5.115	4	107.7358	4.478	22	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	N-3:	P-4:P-4:N-3:	N(NPP)(H)2	H(NHN)	N(PC[6a]2Pd)2(NHH)	N(NPP)(H)2	H(NHN)	N(PC[6a]2Pd)2(NHH)	108.9420	1.748	2	108.9420	3.055	2	107.1970	5.115	4	107.7358	4.478	22	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	N-3:	P[6]-4:C-4:N-3:	N(NP[6]C)(H)2	H(NHN)	N(P[6]N[6]2N)(CH3)(NHH)	N(NP[6]C)(H)2	H(NHN)	N(P[6]N[6]2N)(CH3)(NHH)	107.6623	1.405	12	107.6623	1.974	12	107.6623	1.974	12	107.7358	4.478	22	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CCO)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CCO)(NHH)(H)	H(NCN)	N(NCH)(H)2	112.3820	0.000	1	112.3820	0.000	1	116.4377	8.283	6	116.9516	8.751	7	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CC[6a]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CC[6a]O)(NHH)(H)	H(NCN)	N(NCH)(H)2	114.4970	0.000	1	114.4970	0.000	1	116.4377	8.283	6	116.9516	8.751	7	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	N(CNN)(NHH)(H)	H(NCN)	N(NCH)(H)2	117.9368	2.017	4	117.9368	4.070	4	116.4377	8.283	6	116.9516	8.751	7	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(C[5a]N[5a]S[5a])(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	N(C[5a]N[5a]S[5a])(NHH)(H)	H(NC[5a]N)	N(NC[5a]H)(H)2	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	116.9516	8.751	7	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CC[6a]O)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	114.4175	0.118	2	114.4175	0.014	2	114.8210	0.233	4	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CC[6a]O)(NCH)(H)	115.2245	0.180	2	115.2245	0.033	2	114.8210	0.233	4	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	N(CC[6a]O)(NC[6a]H)(H)	H(NCN)	N(C[6a]C[6a]2)(NCH)(H)	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	N-3:	C[5]-3:N-3:H-1:	N(C[5]N[5]2)(NC[5]H)(H)	H(NC[5]N)	N(C[5]N[5]2)(NC[5]H)(H)	N(C[5]N[5]2)(NC[5]H)(H)	H(NC[5]N)	N(C[5]N[5]2)(NC[5]H)(H)	112.8510	1.194	2	112.8510	1.425	2	112.8510	1.425	2	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NCH)(H)	H(NC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	116.0490	0.000	1	116.0490	0.000	1	116.0490	0.000	1	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	113.5571	2.865	10	113.5571	8.210	10	113.5571	8.210	10	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNS)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	H(NC[6a]N)	N(NC[6a]H)(CNS)(H)	115.8180	0.000	1	115.8180	0.000	1	115.8180	0.000	1	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(CNS)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	N(NC[6a]H)(CNS)(H)	H(NCN)	N(C[6a]C[6a]N[6a])(NCH)(H)	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	114.1243	4.899	20	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:3:3:	P-3:N-3:H-1:	N-3:	P-3:P-3:N-3:	N(PC[6a]2)(NPP)(H)	H(NNP)	N(PC[6a]2)2(NHP)	N(PC[6a]2)(NPP)(H)	H(NNP)	N(PC[6a]2)2(NHP)	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	N-3:	N-3:P-4:H-1:	N(C[6a]C[6a]2)(NHP)(H)	H(NC[6a]N)	N(NC[6a]H)(PO3)(H)	N(C[6a]C[6a]2)(NHP)(H)	H(NC[6a]N)	N(NC[6a]H)(PO3)(H)	111.2830	5.255	2	111.2830	27.617	2	111.2830	27.617	2	111.2830	27.617	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC3)(NCH)(H)	N(CC[5a]O)(NCH)(H)	H(NCN)	N(CC3)(NCH)(H)	114.1810	0.000	1	114.1810	0.000	1	113.6346	3.268	7	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CNN)(NCH)(H)	H(NCN)	N(CHHN)(NCH)(H)	N(CNN)(NCH)(H)	H(NCN)	N(CHHN)(NCH)(H)	115.3870	0.000	1	115.3870	0.000	1	113.6346	3.268	7	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CNO)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	N(CNO)(NCH)(H)	H(NCN)	N(CCCH)(NCH)(H)	114.3980	0.000	1	114.3980	0.000	1	113.6346	3.268	7	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	N(CNS)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	109.9460	0.000	1	109.9460	0.000	1	113.6346	3.268	7	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CC[5a]CC)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CC[5a]CC)(NCH)(H)	114.2040	0.000	1	114.2040	0.000	1	113.6346	3.268	7	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	N-3:	C-4:N-3:H-1:	N(COO)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	N(COO)(NCH)(H)	H(NCN)	N(CC[6a]CH)(NCH)(H)	113.6630	1.314	2	113.6630	1.726	2	113.6346	3.268	7	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	N-3:C-3:H-1:	N-3:	C[6]-4:N-3:H-1:	N(NC[6]H)(CNS)(H)	H(NCN)	N(C[6]C[6]2H)(NCH)(H)	N(NC[6]H)(CNS)(H)	H(NCN)	N(C[6]C[6]2H)(NCH)(H)	110.6820	0.482	2	110.6820	0.233	2	110.6820	0.233	2	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:3:1:	P-3:N-3:H-1:	N-3:	P-4:N-3:H-1:	N(PC[6a]2)(NHP)(H)	H(NNP)	N(PC[6a]2O)(NHP)(H)	N(PC[6a]2)(NHP)(H)	H(NNP)	N(PC[6a]2O)(NHP)(H)	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	112.6878	4.556	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(CCHH)(NCH)	N(COO)(NCC)(H)	H(NCN)	N(CCCH)(CCHH)(NCH)	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	116.8335	15.652	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:3:1:	3:	4:4:3:	P-3:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(PC[6a]2)(NCC)(H)	H(NNP)	N(CH3)2(NHP)	N(PC[6a]2)(NCC)(H)	H(NNP)	N(CH3)2(NHP)	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	116.8335	15.652	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:4:1:	3:	3:3:1:	N-3:P-4:H-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(PO3)(H)	H(NNP)	N(C[6a]C[6a]2)(NHP)(H)	N(NC[6a]H)(PO3)(H)	H(NNP)	N(C[6a]C[6a]2)(NHP)(H)	115.2875	0.664	2	115.2875	0.441	2	115.2875	0.441	2	115.2875	0.441	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	3:4:1:	3:	3:3:3:	N-3:P-4:H-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(NC[6a]2)(PC3)(H)	H(NNP)	N(C[6a]C[6a]2)2(NHP)	N(NC[6a]2)(PC3)(H)	H(NNP)	N(C[6a]C[6a]2)2(NHP)	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:1:1:	Ge-4:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(GeC[6a]2H)(NHH)(H)	H(NGeN)	N(NGeH)(H)2	N(GeC[6a]2H)(NHH)(H)	H(NGeN)	N(NGeH)(H)2	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	114.4055	30.256	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:1:1:	S-4:N-3:H-1:	N-3:	N-3:H-1:H-1:	N(SC[6a]OO)(NHH)(H)	H(NNS)	N(NHS)(H)2	N(SC[6a]OO)(NHH)(H)	H(NNS)	N(NHS)(H)2	118.2950	0.000	1	118.2950	0.000	1	118.2950	0.000	1	114.4055	30.256	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC3)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	N(CC3)(NCH)(H)	H(NCN)	N(CC[5a]O)(NCH)(H)	106.0230	0.000	1	106.0230	0.000	1	108.0180	0.898	7	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CCCH)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	N(CCCH)(NCH)(H)	H(NCN)	N(CNO)(NCH)(H)	107.8990	0.000	1	107.8990	0.000	1	108.0180	0.898	7	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[5a]CC)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CC[5a]CC)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	108.9850	0.000	1	108.9850	0.000	1	108.0180	0.898	7	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(CNS)(NCH)(H)	108.5400	0.000	1	108.5400	0.000	1	108.0180	0.898	7	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	N(CC[6a]CH)(NCH)(H)	H(NCN)	N(COO)(NCH)(H)	108.2100	0.228	2	108.2100	0.052	2	108.0180	0.898	7	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	N-3:	C-3:N-3:H-1:	N(CHHN)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	N(CHHN)(NCH)(H)	H(NCN)	N(CNN)(NCH)(H)	108.2590	0.000	1	108.2590	0.000	1	108.0180	0.898	7	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:H-1:	N-3:	N-3:C-3:H-1:	N(C[6]C[6]2H)(NCH)(H)	H(NC[6]N)	N(NC[6]H)(CNS)(H)	N(C[6]C[6]2H)(NCH)(H)	H(NC[6]N)	N(NC[6]H)(CNS)(H)	108.8325	3.524	2	108.8325	12.415	2	108.8325	12.415	2	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:1:	P-4:N-3:H-1:	N-3:	P-3:N-3:H-1:	N(PC[6a]2O)(NHP)(H)	H(NNP)	N(PC[6a]2)(NHP)(H)	N(PC[6a]2O)(NHP)(H)	H(NNP)	N(PC[6a]2)(NHP)(H)	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	109.1556	11.243	10	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:3:	C-4:N-3:H-1:	N-3:	P-3:P-3:N-3:	N(CC3)(NPP)(H)	H(NCN)	N(PC[6a]2)2(NCH)	N(CC3)(NPP)(H)	H(NCN)	N(PC[6a]2)2(NCH)	108.5420	0.000	1	108.5420	0.000	1	108.0580	0.469	2	108.0580	0.469	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:3:3:	C-4:N-3:H-1:	N-3:	P-3:P-3:N-3:	N(CH3)(NPP)(H)	H(NCN)	N(PC[6a]2)2(NCH)	N(CH3)(NPP)(H)	H(NCN)	N(PC[6a]2)2(NCH)	107.5740	0.000	1	107.5740	0.000	1	108.0580	0.469	2	108.0580	0.469	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Ga[4]-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(Ga[4]N[4]2N)(NCC)(H)	H(NGa[4]N)	N(NGa[4]H)(CH3)2	N(Ga[4]N[4]2N)(NCC)(H)	H(NGa[4]N)	N(NGa[4]H)(CH3)2	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	115.8795	10.451	8	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Si-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(SiC[6a]2N)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	N(SiC[6a]2N)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	119.1040	0.833	2	119.1040	0.694	2	115.3631	9.705	7	115.8795	10.451	8	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Si-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(SiHNN)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	N(SiHNN)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	115.0530	0.303	2	115.0530	0.092	2	115.3631	9.705	7	115.8795	10.451	8	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	3:4:4:	Si-4:N-3:H-1:	N-3:	N-3:C-4:C-4:	N(SiN3)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	N(SiN3)(NCC)(H)	H(NSiN)	N(NSiH)(CH3)2	113.0760	2.605	3	113.0760	6.785	3	115.3631	9.705	7	115.8795	10.451	8	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	4:3:1:	S-4:N-3:H-1:	N-3:	S-4:N-3:H-1:	N(SC[6a]OO)(NHS)(H)	H(NNS)	N(SC[6a]OO)(NHS)(H)	N(SC[6a]OO)(NHS)(H)	H(NNS)	N(SC[6a]OO)(NHS)(H)	108.4545	0.258	2	108.4545	0.067	2	108.4545	0.067	2	108.4545	0.067	2	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	4:4:3:	P-4:N-3:H-1:	N-3:	C-4:C-4:N-3:	N(PC[6a]2Ru)(NCC)(H)	H(NNP)	N(CH3)2(NHP)	N(PC[6a]2Ru)(NCC)(H)	H(NNP)	N(CH3)2(NHP)	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	112.7660	0.424	3	110.5703	22.484	148	110.5703	22.484	148
956	951	956	0:SP3_SP-NON_SP3	N	H	N	4:3:1:	3:	4:4:3:	P-4:N-3:H-1:	N-3:	P-4:C-4:N-3:	N(PFeCC)(NCP)(H)	H(NNP)	N(PFeCC)(CH3)(NHP)	N(PFeCC)(NCP)(H)	H(NNP)	N(PFeCC)(CH3)(NHP)	113.1420	0.000	2	113.1420	0.000	2	113.1420	0.000	2	112.7660	0.424	3	110.5703	22.484	148	110.5703	22.484	148