941	887	951	0:SP2_SP-NON_SP3	N	S	H	3:1:	3:3:2:	2:	S-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(SC[6a]2)(H)	S(C[6a]C[6a]2)2(NH)	H(NS)	N(SC[6a]2)(H)	S(C[6a]C[6a]2)2(NH)	H(NS)	111.3470	0.918	5	111.3470	0.842	5	111.3470	0.842	5	111.3470	0.842	5	111.3470	0.842	5	111.3470	0.842	5
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	2:1:1:	4:2:1:1:	S-4:S-3:	N-2:O-1:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)(SOO)	S(NS)(O)2	S(CF3)(NS)(O)2	N(SCOO)(SOO)	S(NS)(O)2	S(CF3)(NS)(O)2	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	3:2:1:	3:4:2:1:	S-4:S-3:	C[6a]-3:N-2:O-1:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(SC[6a]O)	S(C[6a]C[6a]2)(NS)(O)	S(C[6a]C[6a]2)(CH3)(NS)(O)	N(SC[6a]CO)(SC[6a]O)	S(C[6a]C[6a]2)(NS)(O)	S(C[6a]C[6a]2)(CH3)(NS)(O)	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	3:4:2:	3:2:1:1:	S-4:S-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SC[6a]C)	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SC[6a]C)	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	S(C[6a]C[6a]2)(NS)(O)2	114.9680	0.000	1	114.9680	0.000	1	114.9143	1.531	9	114.9554	1.238	11	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	3:4:2:	3:2:1:1:	S-4:S-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SC[6a]C)	S(C[6a]C[6a]2)(CCHH)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SC[6a]C)	S(C[6a]C[6a]2)(CCHH)(NS)	S(C[6a]C[6a]2)(NS)(O)2	112.9905	1.559	2	112.9905	2.431	2	114.9143	1.531	9	114.9554	1.238	11	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	3:4:2:	3:2:1:1:	S-4:S-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SC[6a]C)	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SC[6a]C)	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	S(C[6a]C[6a]2)(NS)(O)2	115.5467	0.044	6	115.5467	0.002	6	114.9143	1.531	9	114.9554	1.238	11	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	3:4:2:	3:2:1:1:	S-4:S-3:	N[5]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SN[5]C)	S(N[5]C[5,5]C[5])(CH3)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SN[5]C)	S(N[5]C[5,5]C[5])(CH3)(NS)	S(C[6a]C[6a]2)(NS)(O)2	114.9790	0.000	1	114.9790	0.000	1	115.1400	0.052	2	114.9554	1.238	11	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	3:4:2:	3:2:1:1:	S-4:S-3:	N[5]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SN[5]C)	S(N[5]C[5]2)(CCCH)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SN[5]C)	S(N[5]C[5]2)(CCCH)(NS)	S(C[6a]C[6a]2)(NS)(O)2	115.3010	0.000	1	115.3010	0.000	1	115.1400	0.052	2	114.9554	1.238	11	115.4229	6.737	15	115.4229	6.737	15
941	887	952	0:SP2_SP3_SP3	N	S	S	4:3:	4:4:2:	3:2:1:1:	S-4:S-3:	C-4:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SCC)	S(CCHH)2(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SCC)	S(CCHH)2(NS)	S(C[6a]C[6a]2)(NS)(O)2	113.1040	0.000	2	113.1040	0.000	2	113.1040	0.000	2	113.1040	0.000	2	115.4229	6.737	15	115.4229	6.737	15
941	887	983	0:SP2_SP1_SP3	N	S	C	3:2:	3:4:2:	2:1:	S-3:C-2:	C[6a]-3:C-4:N-2:	N-2:N-1:	N(SC[6a]C)(CN)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	C(NS)(N)	N(SC[6a]C)(CN)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	C(NS)(N)	114.3620	0.081	8	114.3620	0.007	8	114.3620	0.007	8	114.3620	0.007	8	114.3620	0.007	8	114.3620	0.007	8
941	887	992	0:SP2_SP3_SP3	N	S	P	4:3:	3:3:2:	3:3:3:2:	P-4:S-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(SC[6a]2)	S(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)3(NS)	N(PC[6a]3)(SC[6a]2)	S(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)3(NS)	125.8330	0.000	1	125.8330	0.000	1	125.8330	0.000	1	125.8330	0.000	1	123.2550	13.292	2	123.2550	13.292	2
941	887	992	0:SP2_SP3_SP3	N	S	P	4:3:	3:3:2:	3:3:4:2:	P-4:S-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N(PC[6a]2C)(SC[6a]2)	S(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(CCHH)(NS)	N(PC[6a]2C)(SC[6a]2)	S(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(CCHH)(NS)	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	123.2550	13.292	2	123.2550	13.292	2
941	890	930	0:SP2_SP2_SP3	N	As	C	4:3:	3:3:3:2:	4:2:1:	As-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:	N(AsC[6a]3)(CCO)	As(C[6a]C[6a]2)3(NC)	C(CCl3)(NAs)(O)	N(AsC[6a]3)(CCO)	As(C[6a]C[6a]2)3(NC)	C(CCl3)(NAs)(O)	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1
941	890	952	0:SP2_SP3_SP3	N	As	S	4:4:	3:3:3:2:	4:2:1:1:	As-4:S-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:O-1:	N(AsC[6a]3)(SCOO)	As(C[6a]C[6a]2)3(NS)	S(CF3)(NAs)(O)2	N(AsC[6a]3)(SCOO)	As(C[6a]C[6a]2)3(NS)	S(CF3)(NAs)(O)2	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1
941	892	930	0:SP2_SP2_SP3	N	N	C	3:4:	2:1:1:1:	3:2:2:	C-3:N-4:	N-2:H-1:H-1:H-1:	C[5a]-3:N-2:N-2:	N(CC[5a]N)(NH3)	N(NC)(H)3	C(C[5a]C[5a]N[5a])(NH)(NN)	N(CC[5a]N)(NH3)	N(NC)(H)3	C(C[5a]C[5a]N[5a])(NH)(NN)	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	114.3895	4.294	11	114.3895	4.294	11
941	892	930	0:SP2_SP2_SP3	N	N	C	3:4:	2:1:1:1:	3:3:2:	C-3:N-4:	N-2:H-1:H-1:H-1:	C[5a]-3:N-3:N-2:	N(CC[5a]N)(NH3)	N(NC)(H)3	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NH3)	N(NC)(H)3	C(C[5a]C[5a]N[5a])(NHH)(NN)	113.5153	0.751	3	113.5153	0.563	3	113.5153	0.563	3	113.5153	0.563	3	114.3895	4.294	11	114.3895	4.294	11
941	892	930	0:SP2_SP2_SP3	N	N	C	3:4:	4:2:1:1:	3:2:1:	C-3:N-4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NCHH)	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCHH)	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NN)(H)	113.3320	0.175	2	113.3320	0.031	2	113.3320	0.031	2	113.3320	0.031	2	114.3895	4.294	11	114.3895	4.294	11
941	892	930	0:SP2_SP2_SP3	N	N	C	3:4:	4:2:1:1:	3:3:2:	C-3:N-4:	B-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(NBHH)	N(BC[6a]3)(NC)(H)2	C(C[6a]C[6a]2)2(NN)	N(CC[6a]2)(NBHH)	N(BC[6a]3)(NC)(H)2	C(C[6a]C[6a]2)2(NN)	117.3455	0.120	2	117.3455	0.014	2	117.3455	0.014	2	117.3455	0.014	2	114.3895	4.294	11	114.3895	4.294	11
941	892	930	0:SP2_SP2_SP3	N	N	C	4:3:	2:1:1:1:	2:2:1:	N-4:C-3:	N-2:H-1:H-1:H-1:	N-2:S-2:S-1:	N(NH3)(CSS)	N(NC)(H)3	C(NN)(SC)(S)	N(NH3)(CSS)	N(NC)(H)3	C(NN)(SC)(S)	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	114.3895	4.294	11	114.3895	4.294	11
941	892	930	0:SP2_SP2_SP3	N	N	C	4:3:	2:1:1:1:	3:3:2:	N-4:C-3:	N-2:H-1:H-1:H-1:	N-3:N-3:N-2:	N(NH3)(CNN)	N(NC)(H)3	C(NHH)2(NN)	N(NH3)(CNN)	N(NC)(H)3	C(NHH)2(NN)	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	114.3895	4.294	11	114.3895	4.294	11
941	892	930	0:SP2_SP2_SP3	N	N	C	4:3:	2:1:1:1:	4:3:2:	N-4:C-3:	N-2:H-1:H-1:H-1:	C-4:N-3:N-2:	N(NH3)(CCN)	N(NC)(H)3	C(CHNN)(NHH)(NN)	N(NH3)(CCN)	N(NC)(H)3	C(CHNN)(NHH)(NN)	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	114.3895	4.294	11	114.3895	4.294	11
941	892	951	0:SP2_SP-NON_SP3	N	N	H	4:1:	2:1:1:1:	2:	N-4:H-1:	N-2:H-1:H-1:H-1:	N-2:	N(NH3)(H)	N(NH)(H)3	H(NN)	N(NH3)(H)	N(NH)(H)3	H(NN)	114.2797	10.432	7	114.2797	108.818	7	114.2797	108.818	7	114.2797	108.818	7	113.0689	105.002	8	113.0689	105.002	8
941	892	951	0:SP2_SP-NON_SP3	N	N	H	4:1:	4:4:4:2:	2:	N-4:H-1:	C-4:C-4:C-4:N-2:	N-2:	N(NC3)(H)	N(CCHH)(CH3)2(NH)	H(NN)	N(NC3)(H)	N(CCHH)(CH3)2(NH)	H(NN)	104.5930	0.000	1	104.5930	0.000	1	104.5930	0.000	1	104.5930	0.000	1	113.0689	105.002	8	113.0689	105.002	8
941	892	952	0:SP2_SP3_SP3	N	N	S	4:4:	4:4:4:2:	3:2:1:1:	S-4:N-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC3)	N(CCHH)(CH3)2(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC3)	N(CCHH)(CH3)2(NS)	S(C[6a]C[6a]2)(NN)(O)2	117.7070	0.000	1	117.7070	0.000	1	117.3865	0.205	2	117.3865	0.205	2	117.3865	0.205	2	117.3865	0.205	2
941	892	952	0:SP2_SP3_SP3	N	N	S	4:4:	4:4:4:2:	3:2:1:1:	S-4:N-4:	C-4:C-4:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC3)	N(CCHH)2(CH3)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC3)	N(CCHH)2(CH3)(NS)	S(C[6a]C[6a]2)(NN)(O)2	117.0660	0.000	1	117.0660	0.000	1	117.3865	0.205	2	117.3865	0.205	2	117.3865	0.205	2	117.3865	0.205	2
941	893	930	0:SP2_SP2_SP2	N	O	C	2:3:	3:2:	4:2:1:	O-2:C-3:	C[6a]-3:N-2:	C-4:N-2:O-1:	N(OC[6a])(CCO)	O(C[6a]C[6a]2)(NC)	C(CH3)(NO)(O)	N(OC[6a])(CCO)	O(C[6a]C[6a]2)(NC)	C(CH3)(NO)(O)	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	2:3:	3:2:	4:3:2:	O-2:C-3:	C[6a]-3:N-2:	C-4:C-3:N-2:	N(OC[6a])(CCC)	O(C[6a]C[6a]N[6a])(NC)	C(CH3)(CCN)(NO)	N(OC[6a])(CCC)	O(C[6a]C[6a]N[6a])(NC)	C(CH3)(CCN)(NO)	110.4240	0.147	2	110.4240	0.022	2	110.4240	0.022	2	110.4240	0.022	2	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	2:3:	3:2:	4:4:2:	O-2:C-3:	C[6a]-3:N-2:	C-4:C-4:N-2:	N(OC[6a])(CCC)	O(C[6a]C[6a]2)(NC)	C(CH3)2(NO)	N(OC[6a])(CCC)	O(C[6a]C[6a]2)(NC)	C(CH3)2(NO)	109.5423	0.103	3	109.5423	0.011	3	109.5423	0.011	3	109.5423	0.011	3	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	2:3:	4:2:	4:4:2:	O-2:C-3:	C[3]-4:N-2:	C-4:C-4:N-2:	N(OC[3])(CCC)	O(C[3]C[3]2C)(NC)	C(CCCH)(CH3)(NO)	N(OC[3])(CCC)	O(C[3]C[3]2C)(NC)	C(CCCH)(CH3)(NO)	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	2:2:1:	C-3:O-2:	N-2:H-1:	C-2:N-2:Br-1:	N(CBrC)(OH)	O(NC)(H)	C(CC)(NO)(Br)	N(CBrC)(OH)	O(NC)(H)	C(CC)(NO)(Br)	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CCH)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CCH)(NO)(H)	112.6620	0.102	2	112.6620	0.010	2	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CC[6a]N)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CC[6a]N)(NO)(H)	111.3531	0.880	7	111.3531	0.775	7	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CC[6a]O)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CC[6a]O)(NO)(H)	112.1520	0.000	1	112.1520	0.000	1	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CNN)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CNN)(NO)(H)	110.3838	1.584	5	110.3838	2.508	5	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CNO)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CNO)(NO)(H)	112.2313	0.318	3	112.2313	0.101	3	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CN[5a]N)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CN[5a]N)(NO)(H)	112.2250	0.000	1	112.2250	0.000	1	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C-3:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CN[6]N)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CN[6]N)(NO)(H)	111.7865	1.087	2	111.7865	1.181	2	111.4933	1.394	21	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5]-3:N-2:Cl-1:	N(CC[5]Cl)(OH)	O(NC)(H)	C(C[5]C[5]N[5])(NO)(Cl)	N(CC[5]Cl)(OH)	O(NC)(H)	C(C[5]C[5]N[5])(NO)(Cl)	113.0050	0.100	2	113.0050	0.010	2	113.0050	0.010	2	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-2:Cl-1:	N(CC[5a]Cl)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(NO)(Cl)	N(CC[5a]Cl)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(NO)(Cl)	113.5905	1.094	2	113.5905	1.197	2	113.5905	1.197	2	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a,6]O[5a])(NO)(H)	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a,6]O[5a])(NO)(H)	111.8920	0.000	1	111.8920	0.000	1	111.1919	0.626	18	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a,6a]C[5a])(NO)(H)	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a,6a]C[5a])(NO)(H)	111.0330	0.640	8	111.0330	0.410	8	111.1919	0.626	18	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a]2)(NO)(H)	110.6178	0.743	5	110.6178	0.552	5	111.1919	0.626	18	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(NO)(H)	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(NO)(H)	111.9343	0.217	3	111.9343	0.047	3	111.1919	0.626	18	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a]S[5a])(NO)(H)	N(CC[5a]H)(OH)	O(NC)(H)	C(C[5a]C[5a]S[5a])(NO)(H)	112.4070	0.000	1	112.4070	0.000	1	111.1919	0.626	18	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(OH)	O(NC)(H)	C(C[6]C[6,6a]C[6])(NO)(H)	N(CC[6]H)(OH)	O(NC)(H)	C(C[6]C[6,6a]C[6])(NO)(H)	111.6423	0.587	10	111.6423	0.345	10	111.3677	0.677	26	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6]H)(OH)	O(NC)(H)	C(C[6]C[6]2)(NO)(H)	N(CC[6]H)(OH)	O(NC)(H)	C(C[6]C[6]2)(NO)(H)	111.1961	0.917	16	111.1961	0.840	16	111.3677	0.677	26	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-2:Cl-1:	N(CC[6a]Cl)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NO)(Cl)	N(CC[6a]Cl)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NO)(Cl)	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a,6a]2)(NO)(H)	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a,6a]2)(NO)(H)	112.0260	0.000	1	112.0260	0.000	1	111.8438	1.130	166	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	111.6637	0.807	12	111.6637	0.651	12	111.8438	1.130	166	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NO)(H)	111.8709	1.084	150	111.8709	1.175	150	111.8438	1.130	166	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(NO)(H)	N(CC[6a]H)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(NO)(H)	111.1447	1.024	3	111.1447	1.048	3	111.8438	1.130	166	111.7416	1.140	236	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C-3:C-2:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6a]O)(CN)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6a]O)(CN)(NO)	114.3790	0.000	1	114.3790	0.000	1	113.0968	1.674	5	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C-3:C-2:N-2:	N(CCC)(OH)	O(NC)(H)	C(CNO)(CN)(NO)	N(CCC)(OH)	O(NC)(H)	C(CNO)(CN)(NO)	112.7763	1.244	4	112.7763	1.548	4	113.0968	1.674	5	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C-3:N-2:N-2:	N(CCN)(OH)	O(NC)(H)	C(CC[6a]O)(NC[6a])(NO)	N(CCN)(OH)	O(NC)(H)	C(CC[6a]O)(NC[6a])(NO)	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C-3:N-2:S-2:	N(CCS)(OH)	O(NC)(H)	C(CNS)(NO)(SC)	N(CCS)(OH)	O(NC)(H)	C(CNS)(NO)(SC)	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C[5]-3:O-2:N-2:	N(CC[5]O)(OH)	O(NC)(H)	C(C[5]N[5]2)(OZn)(NO)	N(CC[5]O)(OH)	O(NC)(H)	C(C[5]N[5]2)(OZn)(NO)	110.8230	0.000	1	110.8230	0.000	1	110.9660	0.121	3	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C[5]-3:O-2:N-2:	N(CC[5]O)(OH)	O(NC)(H)	C(C[5]N[5]S[5])(OZn)(NO)	N(CC[5]O)(OH)	O(NC)(H)	C(C[5]N[5]S[5])(OZn)(NO)	111.0375	0.460	2	111.0375	0.212	2	110.9660	0.121	3	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-2:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]N[5a]2)(CN)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]N[5a]2)(CN)(NO)	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-2:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CN)(NO)	112.4455	0.676	26	112.4455	0.457	26	112.4455	0.457	26	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:2:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:S-2:N-2:	N(CC[6a]S)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(SC[6])(NO)	N(CC[6a]S)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(SC[6])(NO)	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	112.2253	1.079	38	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCN)(CHH)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCN)(CHH)(NO)	111.9070	0.000	1	111.9070	0.000	1	111.9982	0.142	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCN)(COO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCN)(COO)(NO)	111.5140	0.000	1	111.5140	0.000	1	111.9982	0.142	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCN)2(NO)	N(CCC)(OH)	O(NC)(H)	C(CCN)2(NO)	112.3760	0.000	1	112.3760	0.000	1	111.9982	0.142	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCO)(COO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCO)(COO)(NO)	112.1960	0.000	1	112.1960	0.000	1	111.9982	0.142	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CCH)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CCH)(NHH)(NO)	109.1835	0.541	2	109.1835	0.293	2	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CCN)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CCN)(NHH)(NO)	109.3730	0.000	1	109.3730	0.000	1	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CC[6a]N)(NCH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CC[6a]N)(NCH)(NO)	110.4860	0.000	1	110.4860	0.000	1	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CC[6a]O)(NC[6a]H)(NO)	N(CCN)(OH)	O(NC)(H)	C(CC[6a]O)(NC[6a]H)(NO)	110.3225	0.812	11	110.3225	0.659	11	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CC[6a]O)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CC[6a]O)(NHH)(NO)	109.3250	0.000	1	109.3250	0.000	1	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CHN)(NCH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CHN)(NCH)(NO)	110.5900	0.000	1	110.5900	0.000	1	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C-3:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CNN)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CNN)(NHH)(NO)	109.4257	0.900	4	109.4257	0.810	4	109.9710	0.726	21	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5]-3:C[6a]-3:N-2:	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5]-3:N-3:N-2:	N(CC[5]N)(OH)	O(NC)(H)	C(C[5]C[5]N[5])(NHH)(NO)	N(CC[5]N)(OH)	O(NC)(H)	C(C[5]C[5]N[5])(NHH)(NO)	109.2560	0.363	2	109.2560	0.132	2	109.2560	0.132	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(COO)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(COO)(NO)	111.3900	0.000	1	111.3900	0.000	1	113.1165	5.962	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(COO)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(COO)(NO)	114.8430	0.000	1	114.8430	0.000	1	113.1165	5.962	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C[5a]-3:N-2:	N(CC[5a]2)(OH)	O(NC)(H)	C(C[5a]N[5a]2)2(NO)	N(CC[5a]2)(OH)	O(NC)(H)	C(C[5a]N[5a]2)2(NO)	113.2360	0.000	1	113.2360	0.000	1	113.2360	0.000	1	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C[6a]-3:N-2:	N(CC[5a]C[6a])(OH)	O(NC)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	N(CC[5a]C[6a])(OH)	O(NC)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:N-3:N-2:	N(CC[5a]N)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(NHH)(NO)	N(CC[5a]N)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(NHH)(NO)	109.7608	0.681	6	109.7608	0.463	6	109.7608	0.463	6	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6]-3:C[6]-3:N-2:	N(CC[6]2)(OH)	O(NC)(H)	C(C[6]C[6]N[6])2(NO)	N(CC[6]2)(OH)	O(NC)(H)	C(C[6]C[6]N[6])2(NO)	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6]-3:N-3:N-2:	N(CC[6]N)(OH)	O(NC)(H)	C(C[6]C[6]2)(NHH)(NO)	N(CC[6]N)(OH)	O(NC)(H)	C(C[6]C[6]2)(NHH)(NO)	108.8920	0.000	1	108.8920	0.000	1	108.8640	0.111	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6]-3:N-3:N-2:	N(CC[6]N)(OH)	O(NC)(H)	C(C[6]C[6]N[6])(NHH)(NO)	N(CC[6]N)(OH)	O(NC)(H)	C(C[6]C[6]N[6])(NHH)(NO)	108.8547	0.408	3	108.8547	0.166	3	108.8640	0.111	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCH)(NO)	113.6410	0.703	2	113.6410	0.494	2	112.9132	3.873	10	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(NO)	111.9218	0.410	5	111.9218	0.168	5	112.9132	3.873	10	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CNN)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CNN)(NO)	111.8950	0.000	1	111.8950	0.000	1	112.9132	3.873	10	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CNO)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CNO)(NO)	112.3040	0.000	1	112.3040	0.000	1	112.9132	3.873	10	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(CNO)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(CNO)(NO)	118.0420	0.000	1	118.0420	0.000	1	112.9132	3.873	10	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C[5]-3:N-2:	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	110.8970	1.072	2	110.8970	1.149	2	110.8970	1.149	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(OH)	O(NC)(H)	C(C[6a]C[6a]2)2(NO)	N(CC[6a]2)(OH)	O(NC)(H)	C(C[6a]C[6a]2)2(NO)	113.1887	1.206	4	113.1887	1.454	4	113.5167	1.202	6	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	N(CC[6a]2)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	114.1725	0.596	2	114.1725	0.355	2	113.5167	1.202	6	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	110.0610	0.000	1	110.0610	0.000	1	109.9630	0.700	31	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(NHH)(NO)	110.0279	0.753	25	110.0279	0.568	25	109.9630	0.700	31	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NO)	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NO)	109.8550	1.360	4	109.8550	1.851	4	109.9630	0.700	31	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]N[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	O(NC)(H)	C(C[6a]N[6a]2)(NHH)(NO)	108.6740	0.000	1	108.6740	0.000	1	109.9630	0.700	31	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:N[6]-3:N-2:	N(CC[6a]N[6])(OH)	O(NC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	N(CC[6a]N[6])(OH)	O(NC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	112.5932	0.868	4	112.5932	0.753	4	112.5932	0.753	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	N-3:C-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(NC[6a]H)(CCN)(NO)	N(CCN)(OH)	O(NC)(H)	C(NC[6a]H)(CCN)(NO)	109.3490	0.000	1	109.3490	0.000	1	109.9350	0.687	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	N-3:C-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(NC[6a]H)(CHN)(NO)	N(CCN)(OH)	O(NC)(H)	C(NC[6a]H)(CHN)(NO)	110.5210	0.000	1	110.5210	0.000	1	109.9350	0.687	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	N[5a]-3:C-3:N-2:	N(CN[5a]C)(OH)	O(NC)(H)	C(N[5a]C[5a]N[5a])(CHN)(NO)	N(CN[5a]C)(OH)	O(NC)(H)	C(N[5a]C[5a]N[5a])(CHN)(NO)	112.9850	0.000	1	112.9850	0.000	1	113.8365	0.370	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	N[5a]-3:C-3:N-2:	N(CN[5a]C)(OH)	O(NC)(H)	C(N[5a]C[5a]N[5a])(CNO)(NO)	N(CN[5a]C)(OH)	O(NC)(H)	C(N[5a]C[5a]N[5a])(CNO)(NO)	114.1203	0.268	3	114.1203	0.072	3	113.8365	0.370	4	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	N[6]-3:C-3:N-2:	N(CN[6]C)(OH)	O(NC)(H)	C(N[6]C[6]2)(CHN)(NO)	N(CN[6]C)(OH)	O(NC)(H)	C(N[6]C[6]2)(CHN)(NO)	111.9580	0.363	2	111.9580	0.132	2	111.9580	0.132	2	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	N-2:H-1:	N[6]-3:N-3:N-2:	N(CN[6]N)(OH)	O(NC)(H)	C(N[6]C[6]2)(NHH)(NO)	N(CN[6]N)(OH)	O(NC)(H)	C(N[6]C[6]2)(NHH)(NO)	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	110.9290	3.193	105	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C-3:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[5a]O)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[5a]O)(CH3)(NO)	112.7010	0.000	1	112.7010	0.000	1	112.3860	0.439	5	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C-3:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6a]N)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6a]N)(CH3)(NO)	111.9980	0.933	2	111.9980	0.871	2	112.3860	0.439	5	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C-3:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6a]O)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6a]O)(CH3)(NO)	112.6165	0.614	2	112.6165	0.378	2	112.3860	0.439	5	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[3]-3:C-4:N-2:	N(CC[3]C)(OH)	O(NC)(H)	C(C[3]C[3]N[3])(CCHH)(NO)	N(CC[3]C)(OH)	O(NC)(H)	C(C[3]C[3]N[3])(CCHH)(NO)	112.1375	0.221	2	112.1375	0.049	2	112.1375	0.049	2	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[5]-3:C-4:N-2:	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5,6]C[5])(CH3)(NO)	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5,6]C[5])(CH3)(NO)	110.2640	0.000	1	110.2640	0.000	1	113.4525	20.333	2	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[5]-3:C-4:N-2:	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5]N[5])(CH3)(NO)	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5]N[5])(CH3)(NO)	116.6410	0.000	1	116.6410	0.000	1	113.4525	20.333	2	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(NO)	114.5010	0.000	1	114.5010	0.000	1	112.7415	1.196	8	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(CH3)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]N[5a])(CH3)(NO)	111.7200	0.000	1	111.7200	0.000	1	112.7415	1.196	8	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(CH3)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(CH3)(NO)	112.1813	0.783	4	112.1813	0.613	4	112.7415	1.196	8	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(CHHN)(NO)	N(CC[5a]C)(OH)	O(NC)(H)	C(C[5a]C[5a]O[5a])(CHHN)(NO)	113.4930	0.076	2	113.4930	0.006	2	112.7415	1.196	8	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCCH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCCH)(NO)	113.0510	0.000	1	113.0510	0.000	1	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCCN)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCCN)(NO)	111.9793	0.953	3	111.9793	0.907	3	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCHH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCHH)(NO)	112.3509	0.841	8	112.3509	0.707	8	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCHO)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CCHO)(NO)	110.8970	0.000	1	110.8970	0.000	1	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[5]HH)(NO)	110.9420	0.000	1	110.9420	0.000	1	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	112.3880	0.520	6	112.3880	0.270	6	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(NO)	113.6670	0.000	1	113.6670	0.000	1	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CClHH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CClHH)(NO)	112.8740	0.247	2	112.8740	0.061	2	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CF3)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CF3)(NO)	113.8225	1.285	2	113.8225	1.651	2	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CH3)(NO)	112.6078	1.226	21	112.6078	1.503	21	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CHHN)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CHHN)(NO)	112.9717	0.628	3	112.9717	0.395	3	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CHHS)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CHHS)(NO)	113.6880	0.877	2	113.6880	0.769	2	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	110.8157	2.597	4	110.8157	6.742	4	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	N(CC[6a]C)(OH)	O(NC)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	112.0827	0.098	3	112.0827	0.010	3	112.4412	1.554	58	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:C[6]-4:N-2:	N(CC[6a]C[6])(OH)	O(NC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	N(CC[6a]C[6])(OH)	O(NC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	113.4840	0.751	2	113.4840	0.564	2	113.4840	0.564	2	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	C[6a]-3:S-4:N-2:	N(CC[6a]S)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	N(CC[6a]S)(OH)	O(NC)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	3:4:2:	C-3:O-2:	N-2:H-1:	N-3:C-4:N-2:	N(CCN)(OH)	O(NC)(H)	C(NC[6a]H)(CH3)(NO)	N(CCN)(OH)	O(NC)(H)	C(NC[6a]H)(CH3)(NO)	111.2340	0.242	2	111.2340	0.058	2	111.2340	0.058	2	112.4607	1.652	80	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C-4:N-2:Cl-1:	N(CClC)(OH)	O(NC)(H)	C(CCHO)(NO)(Cl)	N(CClC)(OH)	O(NC)(H)	C(CCHO)(NO)(Cl)	113.6330	0.000	1	113.6330	0.000	1	114.2860	0.853	2	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C-4:N-2:Cl-1:	N(CClC)(OH)	O(NC)(H)	C(CC[6a]CH)(NO)(Cl)	N(CClC)(OH)	O(NC)(H)	C(CC[6a]CH)(NO)(Cl)	114.9390	0.000	1	114.9390	0.000	1	114.2860	0.853	2	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C-4:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CB[5,5]C[6]H)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CB[5,5]C[6]H)(NO)(H)	112.0290	0.000	1	112.0290	0.000	1	111.6523	0.170	8	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C-4:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CC3)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CC3)(NO)(H)	111.7452	0.424	4	111.7452	0.180	4	111.6523	0.170	8	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C-4:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CCHH)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CCHH)(NO)(H)	111.8050	0.000	1	111.8050	0.000	1	111.6523	0.170	8	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C-4:N-2:H-1:	N(CCH)(OH)	O(NC)(H)	C(CC[6]CH)(NO)(H)	N(CCH)(OH)	O(NC)(H)	C(CC[6]CH)(NO)(H)	111.2015	0.213	2	111.2015	0.045	2	111.6523	0.170	8	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:1:	C-3:O-2:	N-2:H-1:	C[5]-4:N-2:F-1:	N(CC[5]F)(OH)	O(NC)(H)	C(C[5]C[5,6a]C[5]O)(NO)(F)	N(CC[5]F)(OH)	O(NC)(H)	C(C[5]C[5,6a]C[5]O)(NO)(F)	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	112.1921	1.316	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:2:2:	C-3:O-2:	N-2:H-1:	C-4:N-2:O-2:	N(CCO)(OH)	O(NC)(H)	C(CH3)(NO)(OC)	N(CCO)(OH)	O(NC)(H)	C(CH3)(NO)(OC)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCN)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCN)(NO)	112.7277	0.204	3	112.7277	0.041	3	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCO)(NO)	113.5040	0.000	1	113.5040	0.000	1	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCS)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCS)(NO)	111.8135	0.144	2	111.8135	0.021	2	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CHO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CHO)(NO)	112.5630	0.000	1	112.5630	0.000	1	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CNN)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CNN)(NO)	111.8380	0.000	1	111.8380	0.000	1	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(COO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(COO)(NO)	113.9075	1.432	2	113.9075	2.050	2	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[5]HH)(COO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[5]HH)(COO)(NO)	113.9300	0.000	1	113.9300	0.000	1	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6]HH)(CCO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6]HH)(CCO)(NO)	112.9803	0.747	3	112.9803	0.558	3	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CH3)(CCN)(NO)	N(CCC)(OH)	O(NC)(H)	C(CH3)(CCN)(NO)	112.3505	0.741	12	112.3505	0.549	12	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CH3)(CCO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CH3)(CCO)(NO)	111.5550	0.000	1	111.5550	0.000	1	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CH3)(CNN)(NO)	N(CCC)(OH)	O(NC)(H)	C(CH3)(CNN)(NO)	111.5260	0.000	1	111.5260	0.000	1	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CH3)(CNO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CH3)(CNO)(NO)	112.1094	1.298	9	112.1094	1.685	9	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:C-3:N-2:	N(CCC)(OH)	O(NC)(H)	C(CH3)(COO)(NO)	N(CCC)(OH)	O(NC)(H)	C(CH3)(COO)(NO)	112.1925	0.640	2	112.1925	0.410	2	112.4374	0.947	39	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CCHH)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CCHH)(NHH)(NO)	110.2662	0.448	10	110.2662	0.201	10	110.0161	0.557	17	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CC[6a]C[3]C)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CC[6a]C[3]C)(NHH)(NO)	109.3518	0.476	4	109.3518	0.227	4	110.0161	0.557	17	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CC[6a]HH)(NCC)(NO)	N(CCN)(OH)	O(NC)(H)	C(CC[6a]HH)(NCC)(NO)	111.7020	0.000	1	111.7020	0.000	1	110.0161	0.557	17	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CF3)(NHN)(NO)	N(CCN)(OH)	O(NC)(H)	C(CF3)(NHN)(NO)	109.1350	0.000	1	109.1350	0.000	1	110.0161	0.557	17	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C-4:N-3:N-2:	N(CCN)(OH)	O(NC)(H)	C(CH3)(NHH)(NO)	N(CCN)(OH)	O(NC)(H)	C(CH3)(NHH)(NO)	109.3680	0.000	1	109.3680	0.000	1	110.0161	0.557	17	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C[3,5]-4:C[6a]-3:N-2:	N(CC[3,5]C[6a])(OH)	O(NC)(H)	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(NO)	N(CC[3,5]C[6a])(OH)	O(NC)(H)	C(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(NO)	111.3140	1.855	2	111.3140	3.443	2	111.3140	3.443	2	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C[5]-4:C[6a]-3:N-2:	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NO)	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NO)	113.4160	0.267	2	113.4160	0.071	2	112.8036	2.463	5	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C[5]-4:C[6a]-3:N-2:	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	110.2710	0.000	1	110.2710	0.000	1	112.8036	2.463	5	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C[5]-4:C[6a]-3:N-2:	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(NO)	N(CC[6a]C[5])(OH)	O(NC)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(NO)	113.4575	1.327	2	113.4575	1.762	2	112.8036	2.463	5	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:3:2:	C-3:O-2:	N-2:H-1:	C[5]-4:N-3:N-2:	N(CC[5]N)(OH)	O(NC)(H)	C(C[5]C[5]N[5]H)(NHH)(NO)	N(CC[5]N)(OH)	O(NC)(H)	C(C[5]C[5]N[5]H)(NHH)(NO)	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	111.7585	2.143	64	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCCN)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCCN)(CH3)(NO)	110.6130	0.000	1	110.6130	0.000	1	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCHS)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CCHS)(NO)	111.6510	0.000	1	111.6510	0.000	1	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHH)(CH3)(NO)	112.6250	0.461	2	112.6250	0.213	2	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHN)2(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHN)2(NO)	111.8665	0.340	2	111.8665	0.116	2	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CCHO)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CCHO)(CH3)(NO)	112.7165	0.124	2	112.7165	0.015	2	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6a]CC)(CC3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6a]CC)(CC3)(NO)	116.0405	0.298	2	116.0405	0.089	2	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6a]HH)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6a]HH)(CH3)(NO)	112.3740	0.000	1	112.3740	0.000	1	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CC[6a]HS)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CC[6a]HS)(CH3)(NO)	111.8310	0.000	1	111.8310	0.000	1	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C-4:C-4:N-2:	N(CCC)(OH)	O(NC)(H)	C(CHHN)(CH3)(NO)	N(CCC)(OH)	O(NC)(H)	C(CHHN)(CH3)(NO)	112.3370	0.000	1	112.3370	0.000	1	112.7156	2.550	13	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C[3]-4:C-4:N-2:	N(CC[3]C)(OH)	O(NC)(H)	C(C[3]C[3]2C)(CH3)(NO)	N(CC[3]C)(OH)	O(NC)(H)	C(C[3]C[3]2C)(CH3)(NO)	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C[4]-4:C-4:N-2:	N(CC[4]C)(OH)	O(NC)(H)	C(C[4]C[4]2H)(CN[5]HH)(NO)	N(CC[4]C)(OH)	O(NC)(H)	C(C[4]C[4]2H)(CN[5]HH)(NO)	110.6210	0.000	1	110.6210	0.000	1	111.9185	3.367	2	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C[4]-4:C-4:N-2:	N(CC[4]C)(OH)	O(NC)(H)	C(C[4]C[4]2H)(CN[6]HH)(NO)	N(CC[4]C)(OH)	O(NC)(H)	C(C[4]C[4]2H)(CN[6]HH)(NO)	113.2160	0.000	1	113.2160	0.000	1	111.9185	3.367	2	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C[5]-4:C-4:N-2:	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NO)	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5,6]C[5]H)(CH3)(NO)	112.4545	0.064	2	112.4545	0.004	2	112.7673	0.296	3	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C[5]-4:C-4:N-2:	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5,6a]2H)(CC3)(NO)	N(CC[5]C)(OH)	O(NC)(H)	C(C[5]C[5,6a]2H)(CC3)(NO)	113.3930	0.000	1	113.3930	0.000	1	112.7673	0.296	3	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	2:1:	4:4:2:	C-3:O-2:	N-2:H-1:	C[6]-4:C-4:N-2:	N(CC[6]C)(OH)	O(NC)(H)	C(C[6]N[6]2C)(CH3)(NO)	N(CC[6]C)(OH)	O(NC)(H)	C(C[6]N[6]2C)(CH3)(NO)	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	112.6721	1.893	20	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CCO)(NC)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC)	O(CCO)(NC)	C(C[5a]C[5a]2)(NO)(H)	107.9680	0.000	1	107.9680	0.000	1	107.5887	0.573	3	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CC[6a]O)(NC)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC)	O(CC[6a]O)(NC)	C(C[5a]C[5a]2)(NO)(H)	108.0810	0.000	1	108.0810	0.000	1	107.5887	0.573	3	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CC[6a]O)(NC)	C(C[5a]C[5a]O[5a])(NO)(H)	N(CC[5a]H)(OC)	O(CC[6a]O)(NC)	C(C[5a]C[5a]O[5a])(NO)(H)	106.7170	0.000	1	106.7170	0.000	1	107.5887	0.573	3	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CCN)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CCN)(NC)	C(C[6a]C[6a]2)(NO)(H)	108.6750	0.000	1	108.6750	0.000	1	108.2050	2.605	14	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CCO)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CCO)(NC)	C(C[6a]C[6a]2)(NO)(H)	109.5883	2.042	4	109.5883	4.168	4	108.2050	2.605	14	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CC[3]O)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CC[3]O)(NC)	C(C[6a]C[6a]2)(NO)(H)	108.3470	1.028	2	108.3470	1.057	2	108.2050	2.605	14	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NO)(H)	109.0900	0.000	1	109.0900	0.000	1	108.2050	2.605	14	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CNO)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CNO)(NC)	C(C[6a]C[6a]2)(NO)(H)	107.4445	0.163	2	107.4445	0.027	2	108.2050	2.605	14	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(COO)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(COO)(NC)	C(C[6a]C[6a]2)(NO)(H)	106.7922	0.901	4	106.7922	0.812	4	108.2050	2.605	14	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(NC)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(NC)	C(C[5a]C[5a]2)(NO)(H)	107.5200	0.372	2	107.5200	0.138	2	107.5200	0.138	2	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:1:	C-3:O-2:	C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]2)(NO)(H)	107.8995	1.635	4	107.8995	2.674	4	107.8995	2.674	4	108.0119	2.035	23	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:2:	C-3:O-2:	C-3:N-2:	C-3:C-2:N-2:	N(CCC)(OC)	O(CC[6a]O)(NC)	C(COO)(CN)(NO)	N(CCC)(OC)	O(CC[6a]O)(NC)	C(COO)(CN)(NO)	109.6513	1.038	3	109.6513	1.077	3	109.5110	0.797	4	109.0935	0.918	6	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:2:	C-3:O-2:	C-3:N-2:	C-3:C-2:N-2:	N(CCC)(OC)	O(COO)(NC)	C(COO)(CN)(NO)	N(CCC)(OC)	O(COO)(NC)	C(COO)(CN)(NO)	109.0900	0.000	1	109.0900	0.000	1	109.5110	0.797	4	109.0935	0.918	6	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:2:2:	C-3:O-2:	C-3:N-2:	C-3:N-2:S-2:	N(CCS)(OC)	O(CNO)(NC)	C(CNO)(NO)(SC)	N(CCS)(OC)	O(CNO)(NC)	C(CNO)(NO)(SC)	108.2585	0.332	2	108.2585	0.110	2	108.2585	0.110	2	109.0935	0.918	6	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OC)	O(CCO)(NC)	C(C[6a]C[6a]2)(CCH)(NO)	N(CC[6a]C)(OC)	O(CCO)(NC)	C(C[6a]C[6a]2)(CCH)(NO)	107.4805	0.844	2	107.4805	0.712	2	107.4805	0.712	2	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C[5]-3:N-2:	N(CC[6a]C[5])(OC)	O(CCO)(NC)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	N(CC[6a]C[5])(OC)	O(CCO)(NC)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(OC)	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)2(NO)	N(CC[6a]2)(OC)	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)2(NO)	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OC)	O(CCN)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	O(CCN)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	107.4230	0.265	5	107.4230	0.070	5	107.2859	0.539	12	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OC)	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	106.5540	0.387	2	106.5540	0.150	2	107.2859	0.539	12	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	108.1370	0.524	3	108.1370	0.275	3	107.2859	0.539	12	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:3:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OC)	O(CNN)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	O(CNN)(NC)	C(C[6a]C[6a]2)(NHH)(NO)	106.3985	0.197	2	106.3985	0.039	2	107.2859	0.539	12	107.5722	0.947	16	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C-3:C-4:N-2:	N(CCC)(OC)	O(CCN)(NC)	C(CC[6a]N)(CH3)(NO)	N(CCC)(OC)	O(CCN)(NC)	C(CC[6a]N)(CH3)(NO)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CC[6a]O)(NC)	C(C[5a]C[5a]O[5a])(CH3)(NO)	N(CC[5a]C)(OC)	O(CC[6a]O)(NC)	C(C[5a]C[5a]O[5a])(CH3)(NO)	108.1510	0.445	2	108.1510	0.198	2	108.1510	0.198	2	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CCH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CCH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	110.3880	0.281	2	110.3880	0.079	2	110.0863	0.822	7	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CCO)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NO)	N(CC[6a]C)(OC)	O(CCO)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NO)	109.4510	0.000	1	109.4510	0.000	1	110.0863	0.822	7	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CC[6]O)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CC[6]O)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	108.6110	0.000	1	108.6110	0.000	1	110.0863	0.822	7	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CNO)(NC)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	N(CC[6a]C)(OC)	O(CNO)(NC)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	110.0620	0.000	1	110.0620	0.000	1	110.0863	0.822	7	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(COO)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(COO)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	110.8520	0.957	2	110.8520	0.917	2	110.0863	0.822	7	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	3:4:2:	C-3:O-2:	C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.6265	1.112	11	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:3:2:	C-3:O-2:	C-3:N-2:	C-4:C-3:N-2:	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(CCN)(NO)	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(CCN)(NO)	110.8790	0.000	1	110.8790	0.000	1	109.0757	2.012	4	108.2046	1.709	9	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:3:2:	C-3:O-2:	C-3:N-2:	C-4:C-3:N-2:	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(CCO)(NO)	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(CCO)(NO)	108.7520	0.000	1	108.7520	0.000	1	109.0757	2.012	4	108.2046	1.709	9	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:3:2:	C-3:O-2:	C-3:N-2:	C-4:C-3:N-2:	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(COO)(NO)	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(COO)(NO)	107.4460	0.000	1	107.4460	0.000	1	109.0757	2.012	4	108.2046	1.709	9	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:3:2:	C-3:O-2:	C-3:N-2:	C-4:C-3:N-2:	N(CCC)(OC)	O(CC[6a]O)(NC)	C(CCHH)(CCS)(NO)	N(CCC)(OC)	O(CC[6a]O)(NC)	C(CCHH)(CCS)(NO)	109.2260	0.000	1	109.2260	0.000	1	109.0757	2.012	4	108.2046	1.709	9	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:3:2:	C-3:O-2:	C-3:N-2:	C-4:N-3:N-2:	N(CCN)(OC)	O(CCN)(NC)	C(CC[6a]HH)(NHH)(NO)	N(CCN)(OC)	O(CCN)(NC)	C(CC[6a]HH)(NHH)(NO)	107.3588	0.759	4	107.3588	0.576	4	107.5076	0.543	5	108.2046	1.709	9	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:3:2:	C-3:O-2:	C-3:N-2:	C-4:N-3:N-2:	N(CCN)(OC)	O(CNN)(NC)	C(CC3)(NHH)(NO)	N(CCN)(OC)	O(CNN)(NC)	C(CC3)(NHH)(NO)	108.1030	0.000	1	108.1030	0.000	1	107.5076	0.543	5	108.2046	1.709	9	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:4:2:	C-3:O-2:	C-3:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CCN)(NC)	C(CCHH)(CH3)(NO)	N(CCC)(OC)	O(CCN)(NC)	C(CCHH)(CH3)(NO)	110.7780	0.000	1	110.7780	0.000	1	110.4014	2.756	8	110.4014	2.756	8	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:4:2:	C-3:O-2:	C-3:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CCN)(NC)	C(CH3)2(NO)	N(CCC)(OC)	O(CCN)(NC)	C(CH3)2(NO)	110.5768	2.479	4	110.5768	6.144	4	110.4014	2.756	8	110.4014	2.756	8	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:4:2:	C-3:O-2:	C-3:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CCO)(NC)	C(CC[6a]CH)(CHHO)(NO)	N(CCC)(OC)	O(CCO)(NC)	C(CC[6a]CH)(CHHO)(NO)	110.1605	0.351	2	110.1605	0.124	2	110.4014	2.756	8	110.4014	2.756	8	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	3:2:	4:4:2:	C-3:O-2:	C-3:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CCO)(NC)	C(CH3)2(NO)	N(CCC)(OC)	O(CCO)(NC)	C(CH3)2(NO)	109.8050	0.000	1	109.8050	0.000	1	110.4014	2.756	8	110.4014	2.756	8	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	2:2:1:	C-3:O-2:	C-4:N-2:	N-2:O-2:O-1:	N(COO)(OC)	O(CCCH)(NC)	C(NO)(OC)(O)	N(COO)(OC)	O(CCCH)(NC)	C(NO)(OC)(O)	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C-3:N-2:H-1:	N(CCH)(OC)	O(CH3)(NC)	C(CCH)(NO)(H)	N(CCH)(OC)	O(CH3)(NC)	C(CCH)(NO)(H)	110.0620	0.000	1	110.0620	0.000	1	111.3775	0.923	4	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C-3:N-2:H-1:	N(CCH)(OC)	O(CH3)(NC)	C(CC[5]O)(NO)(H)	N(CCH)(OC)	O(CH3)(NC)	C(CC[5]O)(NO)(H)	112.1920	0.000	1	112.1920	0.000	1	111.3775	0.923	4	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C-3:N-2:H-1:	N(CCH)(OC)	O(CH3)(NC)	C(CC[5a]O)(NO)(H)	N(CCH)(OC)	O(CH3)(NC)	C(CC[5a]O)(NO)(H)	111.2750	0.000	1	111.2750	0.000	1	111.3775	0.923	4	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C-3:N-2:H-1:	N(CCH)(OC)	O(CH3)(NC)	C(CC[6a]O)(NO)(H)	N(CCH)(OC)	O(CH3)(NC)	C(CC[6a]O)(NO)(H)	111.9810	0.000	1	111.9810	0.000	1	111.3775	0.923	4	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CC[5a]HH)(NC)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC)	O(CC[5a]HH)(NC)	C(C[5a]C[5a]2)(NO)(H)	109.4430	1.449	3	109.4430	2.100	3	109.8894	0.646	10	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]2)(NO)(H)	109.8135	0.616	2	109.8135	0.379	2	109.8894	0.646	10	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]S[5a])(NO)(H)	N(CC[5a]H)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]S[5a])(NO)(H)	110.2185	0.267	2	110.2185	0.071	2	109.8894	0.646	10	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(OC)	O(CC[6a]HH)(NC)	C(C[5a]N[5a]2)(NO)(H)	N(CC[5a]H)(OC)	O(CC[6a]HH)(NC)	C(C[5a]N[5a]2)(NO)(H)	110.1670	0.231	3	110.1670	0.054	3	109.8894	0.646	10	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:Cl-1:	N(CC[6a]Cl)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(NO)(Cl)	N(CC[6a]Cl)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(NO)(Cl)	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CCCH)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CCCH)(NC)	C(C[6a]C[6a]2)(NO)(H)	109.1470	0.000	1	109.1470	0.000	1	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CCHH)(NC)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OC)	O(CCHH)(NC)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	110.9270	1.837	2	110.9270	3.375	2	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(NO)(H)	111.1752	1.035	32	111.1752	1.071	32	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CC[5a]HH)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CC[5a]HH)(NC)	C(C[6a]C[6a]2)(NO)(H)	108.8160	0.751	3	108.8160	0.565	3	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(NO)(H)	110.9908	1.320	10	110.9908	1.742	10	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CH3)(NC)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OC)	O(CH3)(NC)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	110.0730	0.665	2	110.0730	0.442	2	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(NO)(H)	110.6310	0.421	3	110.6310	0.177	3	110.8868	1.430	53	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	N-3:N-2:H-1:	N(CHN)(OC)	O(CC[6a]HH)(NC)	C(NCH)(NO)(H)	N(CHN)(OC)	O(CC[6a]HH)(NC)	C(NCH)(NO)(H)	109.2025	0.555	11	109.2025	0.308	11	109.3322	0.359	13	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C-4:N-2:	N-3:N-2:H-1:	N(CHN)(OC)	O(CH3)(NC)	C(NCH)(NO)(H)	N(CHN)(OC)	O(CH3)(NC)	C(NCH)(NO)(H)	110.0455	0.149	2	110.0455	0.022	2	109.3322	0.359	13	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C[5]-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC[5])	O(C[5]C[5]2H)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[5])	O(C[5]C[5]2H)(NC)	C(C[6a]C[6a]2)(NO)(H)	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC[6])	O(C[6]C[6]2C)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6])	O(C[6]C[6]2C)(NC)	C(C[6a]C[6a]2)(NO)(H)	111.5920	0.000	1	111.5920	0.000	1	109.6390	2.868	3	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:1:	C-3:O-2:	C[6]-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(OC[6])	O(C[6]C[6]2H)(NC)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6])	O(C[6]C[6]2H)(NC)	C(C[6a]C[6a]2)(NO)(H)	108.6625	0.124	2	108.6625	0.015	2	109.6390	2.868	3	110.5221	1.611	85	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:2:	C-3:O-2:	C-4:N-2:	C[5]-3:O-2:N-2:	N(CC[5]O)(OC)	O(CH3)(NC)	C(C[5]N[5]S[5])(OZn)(NO)	N(CC[5]O)(OC)	O(CH3)(NC)	C(C[5]N[5]S[5])(OZn)(NO)	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	110.5080	1.016	7	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-2:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CC)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CC)(NO)	111.5360	0.000	1	111.5360	0.000	1	111.5360	0.000	1	110.5080	1.016	7	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)(NC)(NO)	N(CC[6a]N)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)(NC)(NO)	109.9040	0.000	1	109.9040	0.000	1	109.9437	0.115	3	110.5080	1.016	7	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)(NTi)(NO)	N(CC[6a]N)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)(NTi)(NO)	109.9635	0.477	2	109.9635	0.228	2	109.9437	0.115	3	110.5080	1.016	7	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-2:O-2:	N(CC[6a]O)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(NO)(OC)	N(CC[6a]O)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(NO)(OC)	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	110.5080	1.016	7	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:2:2:	C-3:O-2:	P-4:N-2:	C[6a]-3:C-2:N-2:	N(CC[6a]C)(OP)	O(POOS)(NC)	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(OP)	O(POOS)(NC)	C(C[6a]C[6a]2)(CN)(NO)	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	110.5080	1.016	7	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C-3:C-3:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CCH)2(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CCH)2(NO)	111.5870	0.000	1	111.5870	0.000	1	111.5840	0.157	7	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C-3:C-3:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CCO)(COO)(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CCO)(COO)(NO)	111.5916	0.485	5	111.5916	0.235	5	111.5840	0.157	7	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C-3:C-3:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CC[6a]O)(COO)(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CC[6a]O)(COO)(NO)	111.5430	0.000	1	111.5430	0.000	1	111.5840	0.157	7	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5]-3:C-3:N-2:	N(CC[5]C)(OC)	O(CCHH)(NC)	C(C[5]C[5]N[5])(COO)(NO)	N(CC[5]C)(OC)	O(CCHH)(NC)	C(C[5]C[5]N[5])(COO)(NO)	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OC)	O(CC3)(NC)	C(C[5a]C[5a]N[5a])(CNO)(NO)	N(CC[5a]C)(OC)	O(CC3)(NC)	C(C[5a]C[5a]N[5a])(CNO)(NO)	112.4450	0.000	1	112.4450	0.000	1	111.0818	0.917	6	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OC)	O(CCHH)(NC)	C(C[5a]C[5a]N[5a])(COO)(NO)	N(CC[5a]C)(OC)	O(CCHH)(NC)	C(C[5a]C[5a]N[5a])(COO)(NO)	110.6060	0.000	1	110.6060	0.000	1	111.0818	0.917	6	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NO)	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NO)	111.3720	1.090	2	111.3720	1.189	2	111.0818	0.917	6	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a]N[5a])(COO)(NO)	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a]N[5a])(COO)(NO)	110.5320	0.000	1	110.5320	0.000	1	111.0818	0.917	6	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-3:N-2:	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a]N[5a])(COS)(NO)	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a]N[5a])(COS)(NO)	110.1640	0.000	1	110.1640	0.000	1	111.0818	0.917	6	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C[5a]-3:N-2:	N(CC[5a]2)(OC)	O(CH3)(NC)	C(C[5a]C[5a]N[5a])2(NO)	N(CC[5a]2)(OC)	O(CH3)(NC)	C(C[5a]C[5a]N[5a])2(NO)	113.8750	0.000	1	113.8750	0.000	1	113.8750	0.000	1	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C[6a]-3:N-2:	N(CC[5a]C[6a])(OC)	O(CCHH)(NC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	N(CC[5a]C[6a])(OC)	O(CCHH)(NC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	111.8560	0.000	1	111.8560	0.000	1	111.1080	1.119	2	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C[6a]-3:N-2:	N(CC[5a]C[6a])(OC)	O(CH3)(NC)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	N(CC[5a]C[6a])(OC)	O(CH3)(NC)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	110.3600	0.000	1	110.3600	0.000	1	111.1080	1.119	2	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CCH)(NO)	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CCH)(NO)	111.0923	0.203	4	111.0923	0.041	4	111.4914	0.220	18	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CNO)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CNO)(NO)	111.8557	0.469	7	111.8557	0.220	7	111.4914	0.220	18	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(COO)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(COO)(NO)	111.3551	0.317	7	111.3551	0.100	7	111.4914	0.220	18	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)2(NO)	N(CC[6a]2)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)2(NO)	112.3050	0.000	1	112.3050	0.000	1	111.8505	0.218	12	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(OC)	O(CCCH)(NC)	C(C[6a]C[6a]2)2(NO)	N(CC[6a]2)(OC)	O(CCCH)(NC)	C(C[6a]C[6a]2)2(NO)	111.5460	0.000	1	111.5460	0.000	1	111.8505	0.218	12	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)2(NO)	N(CC[6a]2)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)2(NO)	111.8355	0.483	10	111.8355	0.233	10	111.8505	0.218	12	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)(NTiC)(NO)	N(CC[6a]N)(OC)	O(CC3)(NC)	C(C[6a]C[6a]2)(NTiC)(NO)	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:3:2:	C-3:O-2:	S-4:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(OS)	O(SCOO)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	N(CC[6a]C)(OS)	O(SCOO)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	111.4631	0.687	49	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	B-4:N-2:	C[6a]-3:P-4:N-2:	N(CC[6a]P)(OB)	O(BC[6a]3)(NC)	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	N(CC[6a]P)(OB)	O(BC[6a]3)(NC)	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	116.1400	0.000	1	116.1400	0.000	1	114.7430	1.119	4	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	B-4:N-2:	C[6a]-3:P-4:N-2:	N(CC[6a]P)(OB)	O(BC[6a]3)(NC)	C(C[6a]C[6a]2)(PC[6a]3)(NO)	N(CC[6a]P)(OB)	O(BC[6a]3)(NC)	C(C[6a]C[6a]2)(PC[6a]3)(NO)	114.2773	0.615	3	114.2773	0.378	3	114.7430	1.119	4	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CCCH)(NC)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	N(CC[5a]C)(OC)	O(CCCH)(NC)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	111.2170	0.000	1	111.2170	0.000	1	111.1186	0.307	8	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CCHH)(NC)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	N(CC[5a]C)(OC)	O(CCHH)(NC)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	111.7660	0.231	2	111.7660	0.053	2	111.1186	0.307	8	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CCHH)(NC)	C(C[5a]C[5a]S[5a])(CH3)(NO)	N(CC[5a]C)(OC)	O(CCHH)(NC)	C(C[5a]C[5a]S[5a])(CH3)(NO)	110.8610	0.000	1	110.8610	0.000	1	111.1186	0.307	8	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]O[5a])(CH3)(NO)	N(CC[5a]C)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]O[5a])(CH3)(NO)	110.5765	0.712	2	110.5765	0.507	2	111.1186	0.307	8	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	N(CC[5a]C)(OC)	O(CC[6a]HH)(NC)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(NO)	111.2960	0.000	1	111.2960	0.000	1	111.1186	0.307	8	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a,6a]C[5a])(CH3)(NO)	N(CC[5a]C)(OC)	O(CH3)(NC)	C(C[5a]C[5a,6a]C[5a])(CH3)(NO)	110.8900	0.000	1	110.8900	0.000	1	111.1186	0.307	8	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	113.5944	0.497	10	113.5944	0.247	10	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CHHS)(NO)	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CHHS)(NO)	111.2795	0.868	2	111.2795	0.753	2	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CN[5]HH)(NO)	N(CC[6a]C)(OC)	O(CCHH)(NC)	C(C[6a]C[6a]2)(CN[5]HH)(NO)	111.2910	0.000	1	111.2910	0.000	1	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	110.5160	0.000	1	110.5160	0.000	1	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	111.1340	0.573	3	111.1340	0.329	3	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CCHH)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CCHH)(NO)	111.2650	0.000	1	111.2650	0.000	1	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	110.9270	0.954	3	110.9270	0.910	3	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CHHN)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CHHN)(NO)	111.1823	0.281	3	111.1823	0.079	3	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CHHO)(NO)	N(CC[6a]C)(OC)	O(CH3)(NC)	C(C[6a]C[6a]2)(CHHO)(NO)	112.2150	0.000	1	112.2150	0.000	1	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	C-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OC)	O(CHHO)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OC)	O(CHHO)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	111.5790	0.751	2	111.5790	0.564	2	112.0992	1.682	27	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	P-4:N-2:	C[5a]-3:C-4:N-2:	N(CC[5a]C)(OP)	O(POOS)(NC)	C(C[5a]C[5a]N[5a])(CH3)(NO)	N(CC[5a]C)(OP)	O(POOS)(NC)	C(C[5a]C[5a]N[5a])(CH3)(NO)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	3:4:2:	C-3:O-2:	P-4:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(OP)	O(PC[6a]2O)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	N(CC[6a]C)(OP)	O(PC[6a]2O)(NC)	C(C[6a]C[6a]2)(CH3)(NO)	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	112.0590	2.360	41	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:2:1:	C-3:O-2:	C-4:N-2:	C-4:N-2:H-1:	N(CCH)(OC)	O(CC[6a]HH)(NC)	C(CCCH)(NO)(H)	N(CCH)(OC)	O(CC[6a]HH)(NC)	C(CCCH)(NO)(H)	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	109.8505	0.216	2	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:2:1:	C-3:O-2:	C-4:N-2:	C[5]-4:N-2:H-1:	N(CC[5]H)(OC)	O(CC[5a]HH)(NC)	C(C[5]C[5]2Fe)(NO)(H)	N(CC[5]H)(OC)	O(CC[5a]HH)(NC)	C(C[5]C[5]2Fe)(NO)(H)	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.8505	0.216	2	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:3:2:	C-3:O-2:	C-4:N-2:	C-4:C-3:N-2:	N(CCC)(OC)	O(CC[6a]HH)(NC)	C(CH3)(CCH)(NO)	N(CCC)(OC)	O(CC[6a]HH)(NC)	C(CH3)(CCH)(NO)	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CCHH)(NC)	C(CH3)2(NO)	N(CCC)(OC)	O(CCHH)(NC)	C(CH3)2(NO)	110.3490	0.400	2	110.3490	0.160	2	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CCHH)(NC)	C(CHHO)(CH3)(NO)	N(CCC)(OC)	O(CCHH)(NC)	C(CHHO)(CH3)(NO)	110.3530	0.518	2	110.3530	0.268	2	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CC[6a]HH)(NC)	C(CH3)2(NO)	N(CCC)(OC)	O(CC[6a]HH)(NC)	C(CH3)2(NO)	111.4010	0.000	1	111.4010	0.000	1	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CCCH)(CCHH)(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CCCH)(CCHH)(NO)	110.8730	0.000	1	110.8730	0.000	1	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CCHH)2(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CCHH)2(NO)	112.2880	0.000	1	112.2880	0.000	1	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CC[6a]HH)(CH3)(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CC[6a]HH)(CH3)(NO)	111.9365	0.388	2	111.9365	0.151	2	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C-4:C-4:N-2:	N(CCC)(OC)	O(CH3)(NC)	C(CHHO)(CH3)(NO)	N(CCC)(OC)	O(CH3)(NC)	C(CHHO)(CH3)(NO)	110.5260	0.037	2	110.5260	0.001	2	110.9901	0.630	11	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C[3]-4:C-4:N-2:	N(CC[3]C)(OC)	O(CC[6a]HH)(NC)	C(C[3]C[3]2H)(CH3)(NO)	N(CC[3]C)(OC)	O(CC[6a]HH)(NC)	C(C[3]C[3]2H)(CH3)(NO)	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C[5]-4:C-4:N-2:	N(CC[5]C)(OC)	O(CH3)(NC)	C(C[5]C[5]2N)(CH3)(NO)	N(CC[5]C)(OC)	O(CH3)(NC)	C(C[5]C[5]2N)(CH3)(NO)	110.7587	0.862	4	110.7587	0.743	4	110.7587	0.743	4	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	C-4:N-2:	C[6]-4:C-4:N-2:	N(CC[6]C)(OC)	O(CH3)(NC)	C(C[6]C[6]2N)(CH3)(NO)	N(CC[6]C)(OC)	O(CH3)(NC)	C(C[6]C[6]2N)(CH3)(NO)	112.1103	0.772	3	112.1103	0.597	3	112.1103	0.597	3	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	Si-4:N-2:	C-4:C-4:N-2:	N(CCC)(OSi)	O(SiH3)(NC)	C(CH3)2(NO)	N(CCC)(OSi)	O(SiH3)(NC)	C(CH3)2(NO)	112.5280	0.000	1	112.5280	0.000	1	112.1107	0.161	3	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	930	0:SP2_SP2_SP2	N	O	C	3:2:	4:2:	4:4:2:	C-3:O-2:	Si-4:N-2:	C-4:C-4:N-2:	N(CCC)(OSi)	O(SiHHO)(NC)	C(CH3)2(NO)	N(CCC)(OSi)	O(SiHHO)(NC)	C(CH3)2(NO)	111.9020	0.245	2	111.9020	0.060	2	112.1107	0.161	3	111.2643	0.771	22	111.3248	2.835	844	111.3248	2.835	844
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	2:1:	3:2:	N-2:O-2:	N-2:H-1:	C[5a]-3:N-2:	N(NC[5a])(OH)	O(NN)(H)	N(C[5a]N[5a]2)(NO)	N(NC[5a])(OH)	O(NN)(H)	N(C[5a]N[5a]2)(NO)	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.7008	1.833	11	109.7008	1.833	11
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	4:2:	3:2:	N-2:O-2:	B-4:N-2:	C[5]-3:N-2:	N(NC[5])(OB)	O(BC[6a]3)(NN)	N(C[5]N[5]2)(NO)	N(NC[5])(OB)	O(BC[6a]3)(NN)	N(C[5]N[5]2)(NO)	109.3415	0.680	2	109.3415	0.462	2	109.3415	0.462	2	108.6680	1.592	3	109.7008	1.833	11	109.7008	1.833	11
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	4:2:	3:2:	N-2:O-2:	C-4:N-2:	C[5]-3:N-2:	N(NC[5])(OC)	O(CC[6a]3)(NN)	N(C[5]N[5]2)(NO)	N(NC[5])(OC)	O(CC[6a]3)(NN)	N(C[5]N[5]2)(NO)	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	108.6680	1.592	3	109.7008	1.833	11	109.7008	1.833	11
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	4:2:	4:2:	N-2:O-2:	B-4:N-2:	P-4:N-2:	N(NP)(OB)	O(BC[6a]3)(NN)	N(PC3)(NO)	N(NP)(OB)	O(BC[6a]3)(NN)	N(PC3)(NO)	110.0247	1.139	4	110.0247	1.298	4	110.4878	1.327	6	110.2067	1.659	7	109.7008	1.833	11	109.7008	1.833	11
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	4:2:	4:2:	N-2:O-2:	B-4:N-2:	P-4:N-2:	N(NP)(OB)	O(BC[6a]3)(NN)	N(PC[6]3)(NO)	N(NP)(OB)	O(BC[6a]3)(NN)	N(PC[6]3)(NO)	111.1220	0.000	1	111.1220	0.000	1	110.4878	1.327	6	110.2067	1.659	7	109.7008	1.833	11	109.7008	1.833	11
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	4:2:	4:2:	N-2:O-2:	B-4:N-2:	P-4:N-2:	N(NP)(OB)	O(BC[6a]3)(NN)	N(PC[6a]3)(NO)	N(NP)(OB)	O(BC[6a]3)(NN)	N(PC[6a]3)(NO)	111.7060	0.000	1	111.7060	0.000	1	110.4878	1.327	6	110.2067	1.659	7	109.7008	1.833	11	109.7008	1.833	11
941	893	941	0:SP2_SP2_SP2	N	O	N	2:2:	4:2:	4:2:	N-2:O-2:	C-4:N-2:	P-4:N-2:	N(NP)(OC)	O(CC[6a]3)(NN)	N(PC3)(NO)	N(NP)(OC)	O(CC[6a]3)(NN)	N(PC3)(NO)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	110.2067	1.659	7	109.7008	1.833	11	109.7008	1.833	11
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	2:2:1:	N-3:O-2:	C-4:N-2:	N-2:N-2:O-1:	N(NNO)(OC)	O(CC[6a]HH)(NN)	N(NC)(NO)(O)	N(NNO)(OC)	O(CC[6a]HH)(NN)	N(NC)(NO)(O)	107.6260	0.188	2	107.6260	0.035	2	107.4577	0.103	3	107.4577	0.103	3	107.3651	0.403	10	107.3651	0.403	10
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	2:2:1:	N-3:O-2:	C-4:N-2:	N-2:N-2:O-1:	N(NNO)(OC)	O(CH3)(NN)	N(NC)(NO)(O)	N(NNO)(OC)	O(CH3)(NN)	N(NC)(NO)(O)	107.1210	0.000	1	107.1210	0.000	1	107.4577	0.103	3	107.4577	0.103	3	107.3651	0.403	10	107.3651	0.403	10
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	3:2:1:	N-3:O-2:	C-4:N-2:	C[6a]-3:N-2:O-1:	N(NC[6a]O)(OC)	O(CH3)(NN)	N(C[6a]C[6a]2)(NO)(O)	N(NC[6a]O)(OC)	O(CH3)(NN)	N(C[6a]C[6a]2)(NO)(O)	108.3055	0.193	2	108.3055	0.037	2	108.3055	0.037	2	107.3254	0.564	7	107.3651	0.403	10	107.3651	0.403	10
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	3:2:1:	N-3:O-2:	C-4:N-2:	N-3:N-2:O-1:	N(NNO)(OC)	O(CC[6a]HH)(NN)	N(NCH)(NO)(O)	N(NNO)(OC)	O(CC[6a]HH)(NN)	N(NCH)(NO)(O)	106.8025	0.466	2	106.8025	0.217	2	106.7860	0.073	4	107.3254	0.564	7	107.3651	0.403	10	107.3651	0.403	10
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	3:2:1:	N-3:O-2:	C-4:N-2:	N-3:N-2:O-1:	N(NNO)(OC)	O(CH3)(NN)	N(NCC)(NO)(O)	N(NNO)(OC)	O(CH3)(NN)	N(NCC)(NO)(O)	106.7980	0.000	1	106.7980	0.000	1	106.7860	0.073	4	107.3254	0.564	7	107.3651	0.403	10	107.3651	0.403	10
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	3:2:1:	N-3:O-2:	C-4:N-2:	N-3:N-2:O-1:	N(NNO)(OC)	O(CH3)(NN)	N(NC[6]H)(NO)(O)	N(NNO)(OC)	O(CH3)(NN)	N(NC[6]H)(NO)(O)	106.7410	0.000	1	106.7410	0.000	1	106.7860	0.073	4	107.3254	0.564	7	107.3651	0.403	10	107.3651	0.403	10
941	893	956	0:SP2_SP2_SP2	N	O	N	3:2:	4:2:	3:2:1:	N-3:O-2:	C-4:N-2:	N[6]-3:N-2:O-1:	N(NN[6]O)(OC)	O(CH3)(NN)	N(N[6]C[6]2)(NO)(O)	N(NN[6]O)(OC)	O(CH3)(NN)	N(N[6]C[6]2)(NO)(O)	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.3254	0.564	7	107.3651	0.403	10	107.3651	0.403	10
941	893	983	0:SP2_SP1_SP2	N	O	C	2:2:	2:1:	3:2:	C-2:O-2:	N-2:H-1:	C[5a]-3:N-2:	N(CC[5a])(OH)	O(NC)(H)	C(C[5a]C[5a]2)(NO)	N(CC[5a])(OH)	O(NC)(H)	C(C[5a]C[5a]2)(NO)	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1
941	899	899	0:SP2_SP-NON_SP-NON	N	C	C	1:1:	2:	2:	C-1:C-1:	N-2:	N-2:	N(C)2	C(NC)	C(NC)	N(C)2	C(NC)	C(NC)	127.1984	26.235	5	127.1984	688.286	5	127.1984	688.286	5	127.1984	688.286	5	127.1984	688.286	5	127.1984	688.286	5
941	899	901	0:SP2_SP-NON_SP1	N	C	N	1:1:	2:	2:	C-1:N-1:	N-2:	N-2:	N(C)(N)	C(NN)	N(NC)	N(C)(N)	C(NN)	N(NC)	178.3270	0.000	1	178.3270	0.000	1	178.3270	0.000	1	178.3270	0.000	1	178.3270	0.000	1	178.3270	0.000	1
941	899	930	0:SP2_SP-NON_SP2	N	C	C	3:1:	2:	2:1:1:	C-3:C-1:	N-2:	N-2:C-1:O-1:	N(CCO)(C)	C(NC)	C(NC)(C)(O)	N(CCO)(C)	C(NC)	C(NC)(C)(O)	147.2060	0.000	1	147.2060	0.000	1	147.2060	0.000	1	147.2060	0.000	1	162.1250	445.153	2	162.1250	445.153	2
941	899	930	0:SP2_SP-NON_SP2	N	C	C	3:1:	2:	3:3:2:	C-3:C-1:	N-2:	C-3:C-3:N-2:	N(CCC)(C)	C(NC)	C(CC[6a]H)(CCN)(NC)	N(CCC)(C)	C(NC)	C(CC[6a]H)(CCN)(NC)	177.0440	0.000	1	177.0440	0.000	1	177.0440	0.000	1	177.0440	0.000	1	162.1250	445.153	2	162.1250	445.153	2
941	899	956	0:SP2_SP-NON_SP2	N	C	N	3:1:	2:	3:4:2:	N-3:C-1:	N-2:	Ge[6]-3:Si-4:N-2:	N(NGe[6]Si)(C)	C(NN)	N(Ge[6]N[6]2)(SiC3)(NC)	N(NGe[6]Si)(C)	C(NN)	N(Ge[6]N[6]2)(SiC3)(NC)	174.9010	0.000	1	174.9010	0.000	1	174.9010	0.000	1	174.9010	0.000	1	176.9873	3.375	3	176.9873	3.375	3
941	899	956	0:SP2_SP-NON_SP2	N	C	N	3:1:	2:	4:4:2:	N-3:C-1:	N-2:	Si-4:Si-4:N-2:	N(NSi2)(C)	C(NN)	N(SiC3)2(NC)	N(NSi2)(C)	C(NN)	N(SiC3)2(NC)	178.0305	0.470	2	178.0305	0.221	2	178.0305	0.221	2	178.0305	0.221	2	176.9873	3.375	3	176.9873	3.375	3
941	899	983	0:SP2_SP-NON_SP1	N	C	C	2:1:	2:	2:1:	C-2:C-1:	N-2:	N-2:O-1:	N(CO)(C)	C(NC)	C(NC)(O)	N(CO)(C)	C(NC)	C(NC)(O)	124.4065	0.274	2	124.4065	0.075	2	124.4065	0.075	2	124.4065	0.075	2	115.7805	115.095	4	115.7805	115.095	4
941	899	983	0:SP2_SP-NON_SP1	N	C	C	2:1:	2:	2:2:	C-2:C-1:	N-2:	N-2:N-2:	N(CN)(C)	C(NC)	C(NC)2	N(CN)(C)	C(NC)	C(NC)2	102.2770	0.000	1	102.2770	0.000	1	107.1545	47.580	2	107.1545	47.580	2	115.7805	115.095	4	115.7805	115.095	4
941	899	983	0:SP2_SP-NON_SP1	N	C	C	2:1:	2:	2:2:	C-2:C-1:	N-2:	N-2:N-2:	N(CN)(C)	C(NC)	C(NSm)(NC)	N(CN)(C)	C(NC)	C(NSm)(NC)	112.0320	0.000	1	112.0320	0.000	1	107.1545	47.580	2	107.1545	47.580	2	115.7805	115.095	4	115.7805	115.095	4
941	901	901	0:SP2_SP1_SP1	N	N	N	1:1:	2:	2:	N-1:N-1:	N-2:	N-2:	N(N)2	N(NN)	N(NN)	N(N)2	N(NN)	N(NN)	178.5251	2.296	42	178.5251	5.273	42	178.5251	5.273	42	178.5251	5.273	42	178.5251	5.273	42	178.5251	5.273	42
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C-3:N-2:H-1:	N(CCH)(N)	N(NC)	C(CCO)(NN)(H)	N(CCH)(N)	N(NC)	C(CCO)(NN)(H)	178.4185	0.600	2	178.4185	0.360	2	177.3775	1.859	10	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C-3:N-2:H-1:	N(CCH)(N)	N(NC)	C(CC[3]O)(NN)(H)	N(CCH)(N)	N(NC)	C(CC[3]O)(NN)(H)	178.3560	0.000	1	178.3560	0.000	1	177.3775	1.859	10	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C-3:N-2:H-1:	N(CCH)(N)	N(NC)	C(CC[3x6]O)(NN)(H)	N(CCH)(N)	N(NC)	C(CC[3x6]O)(NN)(H)	175.8335	0.422	2	175.8335	0.178	2	177.3775	1.859	10	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C-3:N-2:H-1:	N(CCH)(N)	N(NC)	C(CC[5]O)(NN)(H)	N(CCH)(N)	N(NC)	C(CC[5]O)(NN)(H)	177.3140	0.000	1	177.3140	0.000	1	177.3775	1.859	10	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C-3:N-2:H-1:	N(CCH)(N)	N(NC)	C(CC[6a]O)(NN)(H)	N(CCH)(N)	N(NC)	C(CC[6a]O)(NN)(H)	175.9955	0.535	2	175.9955	0.287	2	177.3775	1.859	10	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C-3:N-2:H-1:	N(CCH)(N)	N(NC)	C(CN[6]O)(NN)(H)	N(CCH)(N)	N(NC)	C(CN[6]O)(NN)(H)	178.8050	0.334	2	178.8050	0.111	2	177.3775	1.859	10	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C[5a]-3:N-2:H-1:	N(CC[5a]H)(N)	N(NC)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(N)	N(NC)	C(C[5a]C[5a]N[5a])(NN)(H)	178.6200	0.013	2	178.6200	0.000	2	178.6200	0.000	2	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(N)	N(NC)	C(C[6a]C[6a]O[6a])(NN)(H)	N(CC[6a]H)(N)	N(NC)	C(C[6a]C[6a]O[6a])(NN)(H)	178.9570	0.000	1	178.9570	0.000	1	178.9570	0.000	1	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:2:1:	C-3:N-1:	N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(N)	N(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]O)(N)	N(NC)	C(C[6a]C[6a]2)(NN)(O)	115.2380	0.000	1	115.2380	0.000	1	115.2380	0.000	1	173.2293	280.209	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C-3:C-3:N-2:	N(CCC)(N)	N(NC)	C(CCO)(COO)(NN)	N(CCC)(N)	N(NC)	C(CCO)(COO)(NN)	175.5075	1.056	2	175.5075	1.115	2	176.4667	3.317	3	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C-3:C-3:N-2:	N(CCC)(N)	N(NC)	C(CC[6a]O)(COO)(NN)	N(CCC)(N)	N(NC)	C(CC[6a]O)(COO)(NN)	178.3850	0.000	1	178.3850	0.000	1	176.4667	3.317	3	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C-3:S-3:N-2:	N(CCS)(N)	N(NC)	C(COO)(SCC)(NN)	N(CCS)(N)	N(NC)	C(COO)(SCC)(NN)	178.6990	0.000	1	178.6990	0.000	1	178.6990	0.000	1	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(N)	N(NC)	C(C[6a]C[6a]2)(CNN)(NN)	N(CC[6a]C)(N)	N(NC)	C(C[6a]C[6a]2)(CNN)(NN)	177.6250	0.000	1	177.6250	0.000	1	178.3880	1.164	2	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]C)(N)	N(NC)	C(C[6a]C[6a]2)(COO)(NN)	N(CC[6a]C)(N)	N(NC)	C(C[6a]C[6a]2)(COO)(NN)	179.1510	0.000	1	179.1510	0.000	1	178.3880	1.164	2	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C[6a]-3:C[6]-3:N-2:	N(CC[6a]C[6])(N)	N(NC)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	N(CC[6a]C[6])(N)	N(NC)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	178.7738	0.332	4	178.7738	0.110	4	178.7738	0.110	4	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(N)	N(NC)	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	N(CC[6a]2)(N)	N(NC)	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	177.6320	0.000	1	177.6320	0.000	1	178.6264	0.721	14	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:3:2:	C-3:N-1:	N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(N)	N(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]2)(N)	N(NC)	C(C[6a]C[6a]2)2(NN)	178.7028	0.832	13	178.7028	0.693	13	178.6264	0.721	14	178.3641	1.307	24	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:4:2:	C-3:N-1:	N-2:	B[5a]-3:Si-4:N-2:	N(CB[5a]Si)(N)	N(NC)	C(B[5a]N[5a]2)(SiC3)(NN)	N(CB[5a]Si)(N)	N(NC)	C(B[5a]N[5a]2)(SiC3)(NN)	179.0520	0.000	1	179.0520	0.000	1	179.0520	0.000	1	176.9500	2.488	4	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:4:2:	C-3:N-1:	N-2:	C-3:C-4:N-2:	N(CCC)(N)	N(NC)	C(CN[5]O)(CH3)(NN)	N(CCC)(N)	N(NC)	C(CN[5]O)(CH3)(NN)	177.2730	0.000	1	177.2730	0.000	1	177.2730	0.000	1	176.9500	2.488	4	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:4:2:	C-3:N-1:	N-2:	C[5]-3:Si-4:N-2:	N(CC[5]Si)(N)	N(NC)	C(C[5]C[5,5]N[5])(SiC[6a]2C)(NN)	N(CC[5]Si)(N)	N(NC)	C(C[5]C[5,5]N[5])(SiC[6a]2C)(NN)	175.7200	0.000	1	175.7200	0.000	1	175.7200	0.000	1	176.9500	2.488	4	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	3:4:2:	C-3:N-1:	N-2:	Ge[6]-3:Si-4:N-2:	N(CGe[6]Si)(N)	N(NC)	C(Ge[6]N[6]2)(SiC3)(NN)	N(CGe[6]Si)(N)	N(NC)	C(Ge[6]N[6]2)(SiC3)(NN)	175.7550	0.000	1	175.7550	0.000	1	175.7550	0.000	1	176.9500	2.488	4	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C-4:C-3:N-2:	N(CCC)(N)	N(NC)	C(CCHN)(COO)(NN)	N(CCC)(N)	N(NC)	C(CCHN)(COO)(NN)	178.4110	0.963	2	178.4110	0.928	2	178.2037	0.752	7	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C-4:C-3:N-2:	N(CCC)(N)	N(NC)	C(CCHS)(COO)(NN)	N(CCC)(N)	N(NC)	C(CCHS)(COO)(NN)	178.4600	0.000	1	178.4600	0.000	1	178.2037	0.752	7	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C-4:C-3:N-2:	N(CCC)(N)	N(NC)	C(CC[6a]HN)(COO)(NN)	N(CCC)(N)	N(NC)	C(CC[6a]HN)(COO)(NN)	178.6510	1.250	2	178.6510	1.563	2	178.2037	0.752	7	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C-4:C-3:N-2:	N(CCC)(N)	N(NC)	C(CC[6a]N[6]H)(COO)(NN)	N(CCC)(N)	N(NC)	C(CC[6a]N[6]H)(COO)(NN)	177.4210	0.496	2	177.4210	0.246	2	178.2037	0.752	7	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C[5]-4:C-3:N-2:	N(CC[5]C)(N)	N(NC)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	N(CC[5]C)(N)	N(NC)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	179.2250	0.000	1	179.2250	0.000	1	177.3640	7.422	3	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C[5]-4:C-3:N-2:	N(CC[5]C)(N)	N(NC)	C(C[5]C[5]2O)(COO)(NN)	N(CC[5]C)(N)	N(NC)	C(C[5]C[5]2O)(COO)(NN)	178.6300	0.000	1	178.6300	0.000	1	177.3640	7.422	3	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C[5]-4:C-3:N-2:	N(CC[5]C)(N)	N(NC)	C(C[5]C[5]N[5]C)(COO)(NN)	N(CC[5]C)(N)	N(NC)	C(C[5]C[5]N[5]C)(COO)(NN)	174.2370	0.000	1	174.2370	0.000	1	177.3640	7.422	3	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C[6]-4:C-3:N-2:	N(CC[6]C)(N)	N(NC)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	N(CC[6]C)(N)	N(NC)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	122.2320	0.000	1	122.2320	0.000	1	159.8813	1063.106	3	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	C[6]-4:C-3:N-2:	N(CC[6]C)(N)	N(NC)	C(C[6]C[6]N[6]O)(COO)(NN)	N(CC[6]C)(N)	N(NC)	C(C[6]C[6]N[6]O)(COO)(NN)	178.7060	0.057	2	178.7060	0.003	2	159.8813	1063.106	3	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:3:2:	C-3:N-1:	N-2:	N-4:C-3:N-2:	N(CCN)(N)	N(NC)	C(NC3)(COO)(NN)	N(CCN)(N)	N(NC)	C(NC3)(COO)(NN)	174.6060	0.000	1	174.6060	0.000	1	174.6060	0.000	1	173.8406	223.172	14	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:4:2:	C-3:N-1:	N-2:	C-4:C-4:N-2:	N(CCC)(N)	N(NC)	C(CC[6a]HO)(CF3)(NN)	N(CCC)(N)	N(NC)	C(CC[6a]HO)(CF3)(NN)	176.4150	0.000	1	176.4150	0.000	1	176.4150	0.000	1	178.5410	1.474	6	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:4:2:	C-3:N-1:	N-2:	C-4:P-4:N-2:	N(CCP)(N)	N(NC)	C(CC[6a]CO)(PO3)(NN)	N(CCP)(N)	N(NC)	C(CC[6a]CO)(PO3)(NN)	177.8440	0.000	1	177.8440	0.000	1	177.8440	0.000	1	178.5410	1.474	6	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:4:2:	C-3:N-1:	N-2:	C[6]-4:P-4:N-2:	N(CC[6]P)(N)	N(NC)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	N(CC[6]P)(N)	N(NC)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	178.7930	0.000	1	178.7930	0.000	1	178.7930	0.000	1	178.5410	1.474	6	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:4:2:	C-3:N-1:	N-2:	Ge[6]-4:Si-4:N-2:	N(CGe[6]Si)(N)	N(NC)	C(Ge[6]N[6]2Ag)(SiC3)(NN)	N(CGe[6]Si)(N)	N(NC)	C(Ge[6]N[6]2Ag)(SiC3)(NN)	179.1640	0.000	1	179.1640	0.000	1	179.1640	0.000	1	178.5410	1.474	6	176.1091	113.727	62	176.1091	113.727	62
941	901	930	0:SP2_SP1_SP2	N	N	C	3:1:	2:	4:4:2:	C-3:N-1:	N-2:	Si-4:Si-4:N-2:	N(CSi2)(N)	N(NC)	C(SiC3)2(NN)	N(CSi2)(N)	N(NC)	C(SiC3)2(NN)	179.5150	0.122	2	179.5150	0.015	2	179.5150	0.015	2	178.5410	1.474	6	176.1091	113.727	62	176.1091	113.727	62
941	901	941	0:SP2_SP1_SP1	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6]H)(NN)	170.7570	0.000	1	170.7570	0.000	1	170.7570	0.000	1	170.7570	0.000	1	170.7570	0.000	1	170.7570	0.000	1
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	2:1:	N-2:N-1:	N-2:	N-2:H-1:	N(NH)(N)	N(NN)	N(NN)(H)	N(NH)(N)	N(NN)	N(NN)(H)	172.8297	0.236	3	172.8297	0.056	3	172.8297	0.056	3	172.8297	0.056	3	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	2:2:	N-2:N-1:	N-2:	N-2:P-2:	N(NP)(N)	N(NN)	N(NN)(PN)	N(NP)(N)	N(NN)	N(NN)(PN)	171.3590	0.000	1	171.3590	0.000	1	171.3590	0.000	1	171.3590	0.000	1	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	As-3:N-2:	N(NAs)(N)	N(NN)	N(AsNN)(NN)	N(NAs)(N)	N(NN)	N(AsNN)(NN)	174.4803	1.847	3	174.4803	3.410	3	174.4803	3.410	3	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	As[4]-3:N-2:	N(NAs[4])(N)	N(NN)	N(As[4]N[4]2)(NN)	N(NAs[4])(N)	N(NN)	N(As[4]N[4]2)(NN)	171.4800	0.000	1	171.4800	0.000	1	171.4800	0.000	1	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	B[5a]-3:N-2:	N(NB[5a])(N)	N(NN)	N(B[5a]O[5a]2)(NN)	N(NB[5a])(N)	N(NN)	N(B[5a]O[5a]2)(NN)	173.0780	0.000	1	173.0780	0.000	1	173.0780	0.000	1	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	B[6a]-3:N-2:	N(NB[6a])(N)	N(NN)	N(B[6a]N[6a]2)(NN)	N(NB[6a])(N)	N(NN)	N(B[6a]N[6a]2)(NN)	174.4392	0.677	5	174.4392	0.458	5	174.4392	0.458	5	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CCC)(NN)	N(NC)(N)	N(NN)	N(CCC)(NN)	172.3870	0.000	1	172.3870	0.000	1	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CCH)(NN)	N(NC)(N)	N(NN)	N(CCH)(NN)	171.6210	0.044	2	171.6210	0.002	2	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CCN)(NN)	N(NC)(N)	N(NN)	N(CCN)(NN)	168.6570	0.000	1	168.6570	0.000	1	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CCO)(NN)	N(NC)(N)	N(NN)	N(CCO)(NN)	174.1790	0.000	1	174.1790	0.000	1	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CC[3]O)(NN)	N(NC)(N)	N(NN)	N(CC[3]O)(NN)	174.7710	0.000	1	174.7710	0.000	1	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CC[5]O)(NN)	N(NC)(N)	N(NN)	N(CC[5]O)(NN)	173.5493	0.684	4	173.5493	0.469	4	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CC[5a]2)(NN)	N(NC)(N)	N(NN)	N(CC[5a]2)(NN)	170.1285	1.641	4	170.1285	2.694	4	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CC[5a]O)(NN)	N(NC)(N)	N(NN)	N(CC[5a]O)(NN)	173.5150	0.888	3	173.5150	0.788	3	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CC[6a]C)(NN)	N(NC)(N)	N(NN)	N(CC[6a]C)(NN)	171.1940	0.000	1	171.1940	0.000	1	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CNN)(NN)	N(NC)(N)	N(NN)	N(CNN)(NN)	170.9403	0.928	6	170.9403	0.860	6	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CNO)(NN)	N(NC)(N)	N(NN)	N(CNO)(NN)	174.5194	1.182	9	174.5194	1.397	9	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C-3:N-2:	N(NC)(N)	N(NN)	N(CN[6]O)(NN)	N(NC)(N)	N(NN)	N(CN[6]O)(NN)	173.5830	0.366	4	173.5830	0.134	4	172.7118	3.813	37	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[5]-3:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]N[5])(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]N[5])(NN)	172.6910	0.000	1	172.6910	0.000	1	172.1128	3.468	9	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[5]-3:N-2:	N(NC[5])(N)	N(NN)	N(C[5]N[5]2)(NN)	N(NC[5])(N)	N(NN)	N(C[5]N[5]2)(NN)	172.0405	1.977	8	172.0405	3.909	8	172.1128	3.468	9	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[5a]-3:N-2:	N(NC[5a])(N)	N(NN)	N(C[5a]C[5a]N[5a])(NN)	N(NC[5a])(N)	N(NN)	N(C[5a]C[5a]N[5a])(NN)	170.2621	1.807	11	170.2621	3.264	11	170.8460	2.714	18	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[5a]-3:N-2:	N(NC[5a])(N)	N(NN)	N(C[5a]N[5a]2)(NN)	N(NC[5a])(N)	N(NN)	N(C[5a]N[5a]2)(NN)	171.7636	0.801	7	171.7636	0.641	7	170.8460	2.714	18	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6]-3:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6])(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6])(NN)	166.7580	0.000	1	166.7580	0.000	1	170.2514	6.966	11	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6]-3:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]2)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]2)(NN)	171.4055	1.606	8	171.4055	2.579	8	170.2514	6.966	11	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6]-3:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]N[6])(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]N[6])(NN)	164.9040	0.000	1	164.9040	0.000	1	170.2514	6.966	11	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6]-3:N-2:	N(NC[6])(N)	N(NN)	N(C[6]N[6]2)(NN)	N(NC[6])(N)	N(NN)	N(C[6]N[6]2)(NN)	169.8590	0.000	1	169.8590	0.000	1	170.2514	6.966	11	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6a]-3:N-2:	N(NC[6a])(N)	N(NN)	N(C[6a]C[5a,6a]C[6a])(NN)	N(NC[6a])(N)	N(NN)	N(C[6a]C[5a,6a]C[6a])(NN)	171.4950	0.000	1	171.4950	0.000	1	171.7776	1.993	101	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6a]-3:N-2:	N(NC[6a])(N)	N(NN)	N(C[6a]C[5a,6a]N[6a])(NN)	N(NC[6a])(N)	N(NN)	N(C[6a]C[5a,6a]N[6a])(NN)	174.6610	0.000	1	174.6610	0.000	1	171.7776	1.993	101	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6a]-3:N-2:	N(NC[6a])(N)	N(NN)	N(C[6a]C[6a,6a]C[6a])(NN)	N(NC[6a])(N)	N(NN)	N(C[6a]C[6a,6a]C[6a])(NN)	173.6130	0.000	1	173.6130	0.000	1	171.7776	1.993	101	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6a]-3:N-2:	N(NC[6a])(N)	N(NN)	N(C[6a]C[6a]2)(NN)	N(NC[6a])(N)	N(NN)	N(C[6a]C[6a]2)(NN)	171.7074	1.474	72	171.7074	2.173	72	171.7776	1.993	101	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6a]-3:N-2:	N(NC[6a])(N)	N(NN)	N(C[6a]C[6a]N[6a])(NN)	N(NC[6a])(N)	N(NN)	N(C[6a]C[6a]N[6a])(NN)	171.6191	1.148	16	171.6191	1.319	16	171.7776	1.993	101	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	C[6a]-3:N-2:	N(NC[6a])(N)	N(NN)	N(C[6a]N[6a]2)(NN)	N(NC[6a])(N)	N(NN)	N(C[6a]N[6a]2)(NN)	172.0933	1.142	10	172.0933	1.304	10	171.7776	1.993	101	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	Ge-3:N-2:	N(NGe)(N)	N(NN)	N(GeNN)(NN)	N(NGe)(N)	N(NN)	N(GeNN)(NN)	176.7620	1.289	3	176.7620	1.662	3	176.9145	1.201	4	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	Ge-3:N-2:	N(NGe)(N)	N(NN)	N(GeOO)(NN)	N(NGe)(N)	N(NN)	N(GeOO)(NN)	177.3720	0.000	1	177.3720	0.000	1	176.9145	1.201	4	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	Ge[6]-3:N-2:	N(NGe[6])(N)	N(NN)	N(Ge[6]C[5,6]2)(NN)	N(NGe[6])(N)	N(NN)	N(Ge[6]C[5,6]2)(NN)	176.9940	0.000	1	176.9940	0.000	1	176.8620	0.190	4	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	Ge[6]-3:N-2:	N(NGe[6])(N)	N(NN)	N(Ge[6]N[6]2)(NN)	N(NGe[6])(N)	N(NN)	N(Ge[6]N[6]2)(NN)	176.8180	0.523	3	176.8180	0.274	3	176.8620	0.190	4	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	P-3:N-2:	N(NP)(N)	N(NN)	N(PC[5]N)(NN)	N(NP)(N)	N(NN)	N(PC[5]N)(NN)	171.8810	1.035	2	171.8810	1.072	2	171.8810	1.072	2	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	P[4]-3:N-2:	N(NP[4])(N)	N(NN)	N(P[4]N[4]2)(NN)	N(NP[4])(N)	N(NN)	N(P[4]N[4]2)(NN)	175.8790	0.000	1	175.8790	0.000	1	175.8790	0.000	1	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	3:2:	N-2:N-1:	N-2:	P[5]-3:N-2:	N(NP[5])(N)	N(NN)	N(P[5]N[5]2)(NN)	N(NP[5])(N)	N(NN)	N(P[5]N[5]2)(NN)	177.1920	0.864	2	177.1920	0.747	2	177.1920	0.747	2	172.1920	4.438	199	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	B-4:N-2:	N(NB)(N)	N(NN)	N(BC[5]HH)(NN)	N(NB)(N)	N(NN)	N(BC[5]HH)(NN)	174.5130	0.000	1	174.5130	0.000	1	174.4894	0.394	9	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	B-4:N-2:	N(NB)(N)	N(NN)	N(BC[6a]N[6]N)(NN)	N(NB)(N)	N(NN)	N(BC[6a]N[6]N)(NN)	173.8985	0.547	2	173.8985	0.299	2	174.4894	0.394	9	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	B-4:N-2:	N(NB)(N)	N(NN)	N(BN[6]NN)(NN)	N(NB)(N)	N(NN)	N(BN[6]NN)(NN)	174.6825	0.622	6	174.6825	0.386	6	174.4894	0.394	9	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	B[5]-4:N-2:	N(NB[5])(N)	N(NN)	N(B[5]C[5,6a]2N[6])(NN)	N(NB[5])(N)	N(NN)	N(B[5]C[5,6a]2N[6])(NN)	175.0652	0.985	5	175.0652	0.970	5	175.0652	0.970	5	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	B[6a]-4:N-2:	N(NB[6a])(N)	N(NN)	N(B[6a]C[6a]N[6a]2)(NN)	N(NB[6a])(N)	N(NN)	N(B[6a]C[6a]N[6a]2)(NN)	174.4193	0.201	3	174.4193	0.040	3	174.4193	0.040	3	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC3)(NN)	N(NC)(N)	N(NN)	N(CC3)(NN)	173.0754	0.906	11	173.0754	0.821	11	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CCCH)(NN)	N(NC)(N)	N(NN)	N(CCCH)(NN)	172.0171	1.856	26	172.0171	3.445	26	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CCCN)(NN)	N(NC)(N)	N(NN)	N(CCCN)(NN)	170.8743	1.222	4	170.8743	1.493	4	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CCHH)(NN)	N(NC)(N)	N(NN)	N(CCHH)(NN)	172.4159	1.487	96	172.4159	2.211	96	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[3]CH)(NN)	N(NC)(N)	N(NN)	N(CC[3]CH)(NN)	174.6170	0.000	1	174.6170	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[4]CC)(NN)	N(NC)(N)	N(NN)	N(CC[4]CC)(NN)	173.5950	0.000	1	173.5950	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[4]CH)(NN)	N(NC)(N)	N(NN)	N(CC[4]CH)(NN)	174.6640	0.000	1	174.6640	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5,6]CC)(NN)	N(NC)(N)	N(NN)	N(CC[5,6]CC)(NN)	171.8670	0.000	1	171.8670	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5]CC)(NN)	N(NC)(N)	N(NN)	N(CC[5]CC)(NN)	172.9575	1.190	2	172.9575	1.416	2	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5]CH)(NN)	N(NC)(N)	N(NN)	N(CC[5]CH)(NN)	172.8974	1.473	13	172.8974	2.171	13	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5]HH)(NN)	N(NC)(N)	N(NN)	N(CC[5]HH)(NN)	172.6794	1.040	18	172.6794	1.082	18	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5a]CC)(NN)	N(NC)(N)	N(NN)	N(CC[5a]CC)(NN)	173.9415	0.938	2	173.9415	0.880	2	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5a]C[6]H)(NN)	N(NC)(N)	N(NN)	N(CC[5a]C[6]H)(NN)	173.2590	0.000	1	173.2590	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5a]C[6a]H)(NN)	N(NC)(N)	N(NN)	N(CC[5a]C[6a]H)(NN)	172.8720	0.000	1	172.8720	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[5a]HH)(NN)	N(NC)(N)	N(NN)	N(CC[5a]HH)(NN)	172.2590	1.106	4	172.2590	1.223	4	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6]CC)(NN)	N(NC)(N)	N(NN)	N(CC[6]CC)(NN)	171.9440	0.000	1	171.9440	0.000	1	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6]HH)(NN)	N(NC)(N)	N(NN)	N(CC[6]HH)(NN)	171.7371	1.344	9	171.7371	1.805	9	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6a]CC)(NN)	N(NC)(N)	N(NN)	N(CC[6a]CC)(NN)	175.7160	1.765	3	175.7160	3.114	3	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6a]CH)(NN)	N(NC)(N)	N(NN)	N(CC[6a]CH)(NN)	172.7448	1.197	13	172.7448	1.433	13	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6a]C[5]H)(NN)	N(NC)(N)	N(NN)	N(CC[6a]C[5]H)(NN)	172.3050	0.544	2	172.3050	0.296	2	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6a]C[6]H)(NN)	N(NC)(N)	N(NN)	N(CC[6a]C[6]H)(NN)	173.2940	0.980	2	173.2940	0.960	2	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6a]HH)(NN)	N(NC)(N)	N(NN)	N(CC[6a]HH)(NN)	173.1953	1.426	7	173.1953	2.035	7	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C-4:N-2:	N(NC)(N)	N(NN)	N(CC[6a]HN)(NN)	N(NC)(N)	N(NN)	N(CC[6a]HN)(NN)	173.1135	1.255	4	173.1135	1.575	4	172.5459	2.245	223	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[3]-4:N-2:	N(NC[3])(N)	N(NN)	N(C[3]C[6a]C[3]2)(NN)	N(NC[3])(N)	N(NN)	N(C[3]C[6a]C[3]2)(NN)	173.1820	0.000	1	173.1820	0.000	1	173.1820	0.000	1	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[4]-4:N-2:	N(NC[4])(N)	N(NN)	N(C[4]C[4]2H)(NN)	N(NC[4])(N)	N(NN)	N(C[4]C[4]2H)(NN)	172.2710	0.000	1	172.2710	0.000	1	172.2710	0.000	1	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[4x6]-4:N-2:	N(NC[4x6])(N)	N(NN)	N(C[4x6]C[4x6]2C[6,6])(NN)	N(NC[4x6])(N)	N(NN)	N(C[4x6]C[4x6]2C[6,6])(NN)	173.2710	0.018	2	173.2710	0.000	2	173.2710	0.000	2	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5,5]-4:N-2:	N(NC[5,5])(N)	N(NN)	N(C[5,5]C[5,5,6]2H)(NN)	N(NC[5,5])(N)	N(NN)	N(C[5,5]C[5,5,6]2H)(NN)	173.2480	0.000	1	173.2480	0.000	1	173.2480	0.000	1	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5,6]-4:N-2:	N(NC[5,6])(N)	N(NN)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	N(NC[5,6])(N)	N(NN)	N(C[5,6]C[6,6a]C[5,6]C[5])(NN)	174.4215	0.880	2	174.4215	0.775	2	174.4215	0.775	2	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[3,5]C[5,5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[3,5]C[5,5]H)(NN)	171.7940	0.185	2	171.7940	0.034	2	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[3,5]C[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[3,5]C[5]H)(NN)	172.6270	0.000	1	172.6270	0.000	1	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,5]C[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,5]C[5]H)(NN)	171.7612	1.043	6	171.7612	1.088	6	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,5]N[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,5]N[5]H)(NN)	172.0143	0.475	6	172.0143	0.226	6	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,5a]C[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,5a]C[5]H)(NN)	171.9480	0.000	1	171.9480	0.000	1	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,6]C[5]C)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,6]C[5]C)(NN)	173.0945	0.011	2	173.0945	0.000	2	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,6]C[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,6]C[5]H)(NN)	171.6690	0.078	2	171.6690	0.006	2	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,6]N[5]N)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,6]N[5]N)(NN)	173.0640	0.607	2	173.0640	0.368	2	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,6a]C[5,5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,6a]C[5,5]H)(NN)	172.0890	0.000	1	172.0890	0.000	1	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,6a]C[5]C)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,6a]C[5]C)(NN)	172.7160	0.000	1	172.7160	0.000	1	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5,6a]C[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5,6a]C[5]H)(NN)	173.2900	0.000	1	173.2900	0.000	1	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]2C)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]2C)(NN)	171.7555	0.040	2	171.7555	0.002	2	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]2Co)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]2Co)(NN)	172.4520	0.000	1	172.4520	0.000	1	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]2Fe)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]2Fe)(NN)	172.1474	0.608	10	172.1474	0.370	10	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]2H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]2H)(NN)	172.4938	2.154	19	172.4938	4.638	19	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]N[5]H)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]N[5]H)(NN)	172.2452	1.570	4	172.2452	2.465	4	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[5]-4:N-2:	N(NC[5])(N)	N(NN)	N(C[5]C[5]O[5]C)(NN)	N(NC[5])(N)	N(NN)	N(C[5]C[5]O[5]C)(NN)	171.0292	1.033	4	171.0292	1.068	4	172.1921	1.860	65	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6,6]-4:N-2:	N(NC[6,6])(N)	N(NN)	N(C[6,6]C[3x6]C[6]2)(NN)	N(NC[6,6])(N)	N(NN)	N(C[6,6]C[3x6]C[6]2)(NN)	172.3330	0.580	2	172.3330	0.336	2	172.5610	0.324	3	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6,6]-4:N-2:	N(NC[6,6])(N)	N(NN)	N(C[6,6]C[6,6]2C[6])(NN)	N(NC[6,6])(N)	N(NN)	N(C[6,6]C[6,6]2C[6])(NN)	173.0170	0.000	1	173.0170	0.000	1	172.5610	0.324	3	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[3,6]C[5,6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[3,6]C[5,6]H)(NN)	173.1190	0.000	1	173.1190	0.000	1	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[3,6]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[3,6]C[6]H)(NN)	173.4860	0.861	2	173.4860	0.742	2	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[5,5,6]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[5,5,6]C[6]H)(NN)	171.2605	0.565	2	171.2605	0.319	2	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[5,6]C[6]C)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[5,6]C[6]C)(NN)	170.8304	1.096	5	170.8304	1.202	5	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[5,6]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[5,6]C[6]H)(NN)	171.7463	1.422	4	171.7463	2.023	4	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[5]C[6]2)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[5]C[6]2)(NN)	169.9420	0.000	1	169.9420	0.000	1	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]2H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]2H)(NN)	172.2062	0.600	5	172.2062	0.359	5	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6]C)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6]C)(NN)	172.4645	0.088	2	172.4645	0.008	2	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6]H)(NN)	172.8582	1.093	6	172.8582	1.194	6	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6a]C[6])(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6]C[6a]C[6])(NN)	170.6500	0.000	1	170.6500	0.000	1	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6a]C[5,6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6a]C[5,6]H)(NN)	174.1450	0.000	1	174.1450	0.000	1	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6,6a]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6,6a]C[6]H)(NN)	173.0423	1.056	7	173.0423	1.115	7	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]2C)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]2C)(NN)	173.1231	0.948	8	173.1231	0.898	8	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]2H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]2H)(NN)	172.1411	1.294	47	172.1411	1.673	47	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]2N)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]2N)(NN)	172.0210	0.000	1	172.0210	0.000	1	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]O[6]C)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]O[6]C)(NN)	172.2173	1.308	4	172.2173	1.711	4	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]C[6]O[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]C[6]O[6]H)(NN)	172.0905	0.981	10	172.0905	0.962	10	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	C[6]-4:N-2:	N(NC[6])(N)	N(NN)	N(C[6]N[6,6]C[6]H)(NN)	N(NC[6])(N)	N(NN)	N(C[6]N[6,6]C[6]H)(NN)	173.5890	0.791	2	173.5890	0.625	2	172.2705	1.567	109	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	Ga[5]-4:N-2:	N(NGa[5])(N)	N(NN)	N(Ga[5]N[5]2O)(NN)	N(NGa[5])(N)	N(NN)	N(Ga[5]N[5]2O)(NN)	175.4290	0.000	1	175.4290	0.000	1	175.4290	0.000	1	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	Ga[6]-4:N-2:	N(NGa[6])(N)	N(NN)	N(Ga[6]N[6]2N)(NN)	N(NGa[6])(N)	N(NN)	N(Ga[6]N[6]2N)(NN)	175.9870	0.000	1	175.9870	0.000	1	175.9870	0.000	1	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	Ge-4:N-2:	N(NGe)(N)	N(NN)	N(GeCl2N)(NN)	N(NGe)(N)	N(NN)	N(GeCl2N)(NN)	177.0480	0.000	1	177.0480	0.000	1	177.0480	0.000	1	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	P-4:N-2:	N(NP)(N)	N(NN)	N(PC[6a]3)(NN)	N(NP)(N)	N(NN)	N(PC[6a]3)(NN)	173.1805	1.105	2	173.1805	1.221	2	173.2989	0.427	10	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	P-4:N-2:	N(NP)(N)	N(NN)	N(PFFO)(NN)	N(NP)(N)	N(NN)	N(PFFO)(NN)	172.9160	0.684	2	172.9160	0.469	2	173.2989	0.427	10	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	P-4:N-2:	N(NP)(N)	N(NN)	N(PNNO)(NN)	N(NP)(N)	N(NN)	N(PNNO)(NN)	173.0500	0.303	3	173.0500	0.092	3	173.2989	0.427	10	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	P-4:N-2:	N(NP)(N)	N(NN)	N(PNNS)(NN)	N(NP)(N)	N(NN)	N(PNNS)(NN)	173.8820	0.468	3	173.8820	0.219	3	173.2989	0.427	10	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SCOO)(NN)	N(NS)(N)	N(NN)	N(SCOO)(NN)	173.5573	0.118	3	173.5573	0.014	3	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SC[5]OO)(NN)	N(NS)(N)	N(NN)	N(SC[5]OO)(NN)	173.4180	0.380	2	173.4180	0.145	2	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SC[6a]OO)(NN)	N(NS)(N)	N(NN)	N(SC[6a]OO)(NN)	173.5434	0.617	9	173.5434	0.381	9	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SFOO)(NN)	N(NS)(N)	N(NN)	N(SFOO)(NN)	173.3010	0.000	1	173.3010	0.000	1	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SNOO)(NN)	N(NS)(N)	N(NN)	N(SNOO)(NN)	173.0238	0.175	4	173.0238	0.031	4	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SN[5]OO)(NN)	N(NS)(N)	N(NN)	N(SN[5]OO)(NN)	172.5000	0.098	2	172.5000	0.010	2	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	S-4:N-2:	N(NS)(N)	N(NN)	N(SN[5a]OO)(NN)	N(NS)(N)	N(NN)	N(SN[5a]OO)(NN)	173.7670	0.515	2	173.7670	0.265	2	173.3621	0.285	23	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	4:2:	N-2:N-1:	N-2:	Si-4:N-2:	N(NSi)(N)	N(NN)	N(SiCCN)(NN)	N(NSi)(N)	N(NN)	N(SiCCN)(NN)	175.5745	0.214	2	175.5745	0.046	2	175.5745	0.046	2	172.6155	2.136	462	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	5:2:	N-2:N-1:	N-2:	Nb[6]-5:N-2:	N(NNb[6])(N)	N(NN)	N(Nb[6]C[6a]N[6]2N)(NN)	N(NNb[6])(N)	N(NN)	N(Nb[6]C[6a]N[6]2N)(NN)	179.6670	0.000	1	179.6670	0.000	1	179.6670	0.000	1	173.9196	6.036	12	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	5:2:	N-2:N-1:	N-2:	P[3,3]-5:N-2:	N(NP[3,3])(N)	N(NN)	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	N(NP[3,3])(N)	N(NN)	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	174.2270	0.000	1	174.2270	0.000	1	174.2270	0.000	1	173.9196	6.036	12	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	5:2:	N-2:N-1:	N-2:	P[3x5]-5:N-2:	N(NP[3x5])(N)	N(NN)	N(P[3x5]N[3x5]N[5]3)(NN)	N(NP[3x5])(N)	N(NN)	N(P[3x5]N[3x5]N[5]3)(NN)	173.7760	0.011	2	173.7760	0.000	2	173.7760	0.000	2	173.9196	6.036	12	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	5:2:	N-2:N-1:	N-2:	P[4]-5:N-2:	N(NP[4])(N)	N(NN)	N(P[4]N[4]2NN)(NN)	N(NP[4])(N)	N(NN)	N(P[4]N[4]2NN)(NN)	172.7412	2.151	6	172.7412	4.628	6	172.7412	4.628	6	173.9196	6.036	12	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	5:2:	N-2:N-1:	N-2:	P[5]-5:N-2:	N(NP[5])(N)	N(NN)	N(P[5]N[5]O[5]OO)(NN)	N(NP[5])(N)	N(NN)	N(P[5]N[5]O[5]OO)(NN)	173.8980	0.000	1	173.8980	0.000	1	173.8980	0.000	1	173.9196	6.036	12	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	5:2:	N-2:N-1:	N-2:	Si[4]-5:N-2:	N(NSi[4])(N)	N(NN)	N(Si[4]N[4,6]C[6a]N[6]S[4])(NN)	N(NSi[4])(N)	N(NN)	N(Si[4]N[4,6]C[6a]N[6]S[4])(NN)	175.2440	0.000	1	175.2440	0.000	1	175.2440	0.000	1	173.9196	6.036	12	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	As-6:N-2:	N(NAs)(N)	N(NN)	N(AsN5)(NN)	N(NAs)(N)	N(NN)	N(AsN5)(NN)	175.1643	0.433	3	175.1643	0.187	3	175.2356	0.174	8	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	As-6:N-2:	N(NAs)(N)	N(NN)	N(AsN[6]N4)(NN)	N(NAs)(N)	N(NN)	N(AsN[6]N4)(NN)	175.2784	0.452	5	175.2784	0.204	5	175.2356	0.174	8	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Ge[3x6]-6:N-2:	N(NGe[3x6])(N)	N(NN)	N(Ge[3x6]N[5,6,6]3NN)(NN)	N(NGe[3x6])(N)	N(NN)	N(Ge[3x6]N[5,6,6]3NN)(NN)	176.2783	0.530	3	176.2783	0.281	3	176.2783	0.281	3	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	In-6:N-2:	N(NIn)(N)	N(NN)	N(InN[6]3ClN)(NN)	N(NIn)(N)	N(NN)	N(InN[6]3ClN)(NN)	176.7160	1.452	2	176.7160	2.109	2	176.7160	2.109	2	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Nb[5]-6:N-2:	N(NNb[5])(N)	N(NN)	N(Nb[5]N[5,6]2NNO)(NN)	N(NNb[5])(N)	N(NN)	N(Nb[5]N[5,6]2NNO)(NN)	177.0293	0.457	3	177.0293	0.209	3	177.0293	0.209	3	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	P-6:N-2:	N(NP)(N)	N(NN)	N(PN5)(NN)	N(NP)(N)	N(NN)	N(PN5)(NN)	174.9283	0.250	3	174.9283	0.063	3	174.9283	0.063	3	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Si-6:N-2:	N(NSi)(N)	N(NN)	N(SiN5)(NN)	N(NSi)(N)	N(NN)	N(SiN5)(NN)	175.9487	0.585	3	175.9487	0.342	3	175.9487	0.342	3	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Si[4,5]-6:N-2:	N(NSi[4,5])(N)	N(NN)	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	N(NSi[4,5])(N)	N(NN)	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	175.9975	1.016	2	175.9975	1.032	2	175.9975	1.032	2	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Si[5,5]-6:N-2:	N(NSi[5,5])(N)	N(NN)	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	N(NSi[5,5])(N)	N(NN)	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	174.1930	0.000	1	174.1930	0.000	1	174.1930	0.000	1	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Si[5]-6:N-2:	N(NSi[5])(N)	N(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(NSi[5])(N)	N(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	175.5919	1.009	7	175.5919	1.018	7	175.4309	0.944	9	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	941	0:SP2_SP1_SP2	N	N	N	2:1:	2:	6:2:	N-2:N-1:	N-2:	Si[5]-6:N-2:	N(NSi[5])(N)	N(NN)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	N(NSi[5])(N)	N(NN)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	174.8675	0.795	2	174.8675	0.633	2	175.4309	0.944	9	175.6746	0.874	34	172.6644	3.286	711	172.6644	3.286	711
941	901	956	0:SP2_SP1_SP2	N	N	N	3:1:	2:	4:4:2:	N-3:N-1:	N-2:	Ga-4:Ga-4:N-2:	N(NGa2)(N)	N(NN)	N(GaCl3)2(NN)	N(NGa2)(N)	N(NN)	N(GaCl3)2(NN)	178.8275	0.039	2	178.8275	0.002	2	178.8275	0.002	2	178.8275	0.002	2	178.8275	0.002	2	178.8275	0.002	2
941	902	902	0:SP2_SP2_SP2	N	C[3]	C[3]	3:3:	3:3:2:	3:3:2:	C[3]-3:C[3]-3:	C[3]-3:C[3]-3:N-2:	C[3]-3:C[3]-3:N-2:	N(C[3]C[3]2)2	C[3](C[3]C[3]N)2(NC[3])	C[3](C[3]C[3]N)2(NC[3])	N(C[3]C[3]2)2	C[3](C[3]C[3]N)2(NC[3])	C[3](C[3]C[3]N)2(NC[3])	118.4720	1.294	2	118.4720	1.674	2	118.4720	1.674	2	118.4720	1.674	2	118.4720	1.674	2	118.4720	1.674	2
941	902	930	0:SP2_SP2_SP2	N	C[3]	C	3:3:	3:3:2:	2:2:3:	C[3]-3:C-3:	C[3]-3:C[3]-3:N-2:	N-2:N-2:N-3:	N(C[3]C[3]2)(CNN)	C[3](C[3]C[3]N)2(NC)	C(NC[3])2(NCH)	N(C[3]C[3]2)(CNN)	C[3](C[3]C[3]N)2(NC)	C(NC[3])2(NCH)	120.3185	1.882	2	120.3185	3.540	2	120.3185	3.540	2	120.3185	3.540	2	120.3185	3.540	2	120.3185	3.540	2
941	902	992	0:SP2_SP2_SP3	N	C[3]	P	3:4:	3:3:2:	3:3:2:3:	C[3]-3:P-4:	C[3]-3:C[3]-3:N-2:	N[6]-3:N[6]-3:N-2:N-3:	N(C[3]C[3]2)(PN[6]2N)	C[3](C[3]C[3]N)2(NP)	P(N[6]C[6]2)2(NC[3])(NCH)	N(C[3]C[3]2)(PN[6]2N)	C[3](C[3]C[3]N)2(NP)	P(N[6]C[6]2)2(NC[3])(NCH)	129.8090	0.000	1	129.8090	0.000	1	129.8090	0.000	1	129.8090	0.000	1	129.8090	0.000	1	129.8090	0.000	1
941	908	908	0:SP2_SP2_SP2	N	Se	Se	3:3:	3:3:2:	3:3:2:	Se-3:Se-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(SeC[6a]2)2	Se(C[6a]C[6a]2)2(NSe)	Se(C[6a]C[6a]2)2(NSe)	N(SeC[6a]2)2	Se(C[6a]C[6a]2)2(NSe)	Se(C[6a]C[6a]2)2(NSe)	109.1945	0.627	2	109.1945	0.393	2	109.1945	0.393	2	109.1945	0.393	2	109.1945	0.393	2	109.1945	0.393	2
941	908	952	0:SP2_SP2_SP3	N	Se	S	4:3:	3:3:2:	3:2:1:1:	S-4:Se-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SeC[6a]2)	Se(C[6a]C[6a]2)2(NS)	S(C[6a]C[6a]2)(NSe)(O)2	N(SC[6a]OO)(SeC[6a]2)	Se(C[6a]C[6a]2)2(NS)	S(C[6a]C[6a]2)(NSe)(O)2	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1
941	909	909	0:SP2_SP2_SP2	N	S	S	2:2:	2:2:	2:2:	S-2:S-2:	N-2:N-2:	N-2:N-2:	N(SN)2	S(NC)(NS)	S(NS)2	N(SN)2	S(NC)(NS)	S(NS)2	145.8167	2.200	6	145.8167	4.841	6	123.4030	233.362	20	123.4030	233.362	20	123.4273	221.706	21	123.4273	221.706	21
941	909	909	0:SP2_SP2_SP2	N	S	S	2:2:	2:2:	2:2:	S-2:S-2:	N-2:N-2:	N-2:N-2:	N(SN)2	S(NS)2	S(NS)2	N(SN)2	S(NS)2	S(NS)2	113.7971	2.823	14	113.7971	7.969	14	123.4030	233.362	20	123.4030	233.362	20	123.4273	221.706	21	123.4273	221.706	21
941	909	909	0:SP2_SP2_SP2	N	S	S	2:2:	3:2:	2:1:	S-2:S-2:	C[6a]-3:N-2:	N-2:O-1:	N(SC[6a])(SO)	S(C[6a]C[6a]2)(NS)	S(NS)(O)	N(SC[6a])(SO)	S(C[6a]C[6a]2)(NS)	S(NS)(O)	123.9140	0.000	1	123.9140	0.000	1	123.9140	0.000	1	123.9140	0.000	1	123.4273	221.706	21	123.4273	221.706	21
941	909	921	0:SP2_SP2_SP3	N	S	Se	2:2:	2:2:	2:2:	Se-2:S-2:	N-2:N-2:	N-2:N-2:	N(SeN)(SN)	S(NSe)(NSi)	Se(NS)2	N(SeN)(SN)	S(NSe)(NSi)	Se(NS)2	113.6255	0.971	2	113.6255	0.943	2	113.6255	0.943	2	113.6255	0.943	2	113.6255	0.943	2	113.6255	0.943	2
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	2:2:	3:2:1:	C-3:S-2:	N-2:S-2:	C[5a]-3:N-2:Cl-1:	N(CC[5a]Cl)(SS)	S(NC)(SC)	C(C[5a]C[5a,5a]S[5a])(NS)(Cl)	N(CC[5a]Cl)(SS)	S(NC)(SC)	C(C[5a]C[5a,5a]S[5a])(NS)(Cl)	121.4860	0.092	2	121.4860	0.008	2	121.1050	0.440	3	121.1050	0.440	3	132.9863	177.073	16	132.9863	177.073	16
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	2:2:	3:2:1:	C-3:S-2:	N-2:S-2:	C[5a]-3:N-2:Cl-1:	N(CC[5a]Cl)(SS)	S(NC)(SS)	C(C[5a]C[5a,5a]S[5a])(NS)(Cl)	N(CC[5a]Cl)(SS)	S(NC)(SS)	C(C[5a]C[5a,5a]S[5a])(NS)(Cl)	120.3430	0.000	1	120.3430	0.000	1	121.1050	0.440	3	121.1050	0.440	3	132.9863	177.073	16	132.9863	177.073	16
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	2:2:	3:2:2:	C-3:S-2:	N-2:N-2:	C[5a]-3:N-2:N-2:	N(CC[5a]N)(SN)	S(NC)2	C(C[5a]C[5a]S[5a])(NS)2	N(CC[5a]N)(SN)	S(NC)2	C(C[5a]C[5a]S[5a])(NS)2	141.8335	0.739	2	141.8335	0.546	2	141.8335	0.546	2	145.6821	8.312	8	132.9863	177.073	16	132.9863	177.073	16
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	2:2:	3:2:2:	C-3:S-2:	N-2:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(SN)	S(NC)(NS)	C(C[6a]C[6a]2)(NS)2	N(CC[6a]N)(SN)	S(NC)(NS)	C(C[6a]C[6a]2)(NS)2	146.9650	1.905	6	146.9650	3.628	6	146.9650	3.628	6	145.6821	8.312	8	132.9863	177.073	16	132.9863	177.073	16
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	3:2:	3:3:2:	C-3:S-2:	C[5a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(SC[5a])	S(C[5a]N[5a]O[5a])(NC)	C(C[6a]C[6a]2)2(NS)	N(CC[6a]2)(SC[5a])	S(C[5a]N[5a]O[5a])(NC)	C(C[6a]C[6a]2)2(NS)	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	119.8016	3.722	5	132.9863	177.073	16	132.9863	177.073	16
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	3:2:	3:3:2:	C-3:S-2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(SC[6a])	S(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]2)2(NS)	N(CC[6a]2)(SC[6a])	S(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]2)2(NS)	119.1410	0.000	1	119.1410	0.000	1	120.3075	3.256	4	119.8016	3.722	5	132.9863	177.073	16	132.9863	177.073	16
941	909	930	0:SP2_SP2_SP2	N	S	C	3:2:	3:2:	3:3:2:	C-3:S-2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(SC[6a])	S(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]N[6a])2(NS)	N(CC[6a]2)(SC[6a])	S(C[6a]C[6a]2)(NC)	C(C[6a]C[6a]N[6a])2(NS)	120.6963	1.994	3	120.6963	3.977	3	120.3075	3.256	4	119.8016	3.722	5	132.9863	177.073	16	132.9863	177.073	16
941	909	952	0:SP2_SP2_SP3	N	S	S	4:2:	3:2:	3:2:1:1:	S-4:S-2:	N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SN)	S(NCS)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)(SN)	S(NCS)(NS)	S(C[6a]C[6a]2)(NS)(O)2	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1
941	909	983	0:SP2_SP1_SP2	N	S	C	2:2:	3:2:	2:1:	C-2:S-2:	C-3:N-2:	N-2:O-1:	N(CO)(SC)	S(COO)(NC)	C(NS)(O)	N(CO)(SC)	S(COO)(NC)	C(NS)(O)	132.4980	0.288	3	132.4980	0.083	3	132.4980	0.083	3	132.4980	0.083	3	132.4980	0.083	3	132.4980	0.083	3
941	911	941	0:SP2_SP2_SPD6	N	Si	N	6:2:	2:2:2:2:2:2:	2:1:	Si-6:N-2:	N-2:N-2:N-2:N-2:N-2:N-2:	N-2:N-1:	N(SiN5)(NN)	Si(NN)6	N(NSi)(N)	N(SiN5)(NN)	Si(NN)6	N(NSi)(N)	123.6253	2.468	3	123.6253	6.089	3	123.6253	6.089	3	123.6253	6.089	3	123.6253	6.089	3	123.6253	6.089	3
941	911	983	0:SP2_SP1_SPD6	N	Si	C	6:2:	2:2:2:2:2:2:	2:1:	Si-6:C-2:	N-2:N-2:N-2:N-2:N-2:N-2:	N-2:O-1:	N(SiN5)(CO)	Si(NC)6	C(NSi)(O)	N(SiN5)(CO)	Si(NC)6	C(NSi)(O)	158.1157	3.722	3	158.1157	13.851	3	158.1157	13.851	3	167.1816	67.636	8	167.1816	67.636	8	167.1816	67.636	8
941	911	983	0:SP2_SP1_SPD6	N	Si	C	6:2:	2:2:2:2:2:2:	2:1:	Si-6:C-2:	N-2:N-2:N-2:N-2:N-2:N-2:	N-2:S-1:	N(SiN5)(CS)	Si(NC)6	C(NSi)(S)	N(SiN5)(CS)	Si(NC)6	C(NSi)(S)	171.1463	3.569	3	171.1463	12.735	3	171.1463	12.735	3	167.1816	67.636	8	167.1816	67.636	8	167.1816	67.636	8
941	911	983	0:SP2_SP1_SPD6	N	Si	C	6:2:	2:2:2:2:2:2:	2:1:	Si-6:C-2:	N-2:N-2:N-2:N-2:O-2:O-2:	N-2:S-1:	N(SiN3OO)(CS)	Si(NC)4(OC)2	C(NSi)(S)	N(SiN3OO)(CS)	Si(NC)4(OC)2	C(NSi)(S)	174.8335	3.074	2	174.8335	9.448	2	174.8335	9.448	2	167.1816	67.636	8	167.1816	67.636	8	167.1816	67.636	8
941	917	917	0:SP2_SP3_SP3	N	P[4]	P[4]	4:4:	3:2:2:1:	3:3:2:1:	P[4]-4:P[4]-4:	N[4]-3:N[4]-2:N-2:Se-1:	N[4]-3:N[4]-3:N-2:Se-1:	N(P[4]N[4]2Se)2	P[4](N[4]P[4]C)(N[4]P[4])(NP[4])(Se)	P[4](N[4]P[4]C)2(NP[4])(Se)	N(P[4]N[4]2Se)2	P[4](N[4]P[4]C)(N[4]P[4])(NP[4])(Se){1|Se<1>,1|N<2>}	P[4](N[4]P[4]C)2(NP[4])(Se){1|Se<1>,1|N<2>}	129.8535	1.586	2	129.8535	2.516	2	129.8535	2.516	2	129.8535	2.516	2	129.8535	2.516	2	129.8535	2.516	2
941	921	930	0:SP2_SP2_SP3	N	Se	C	2:3:	3:2:	3:2:1:	Se-2:C-3:	C[5]-3:N-2:	C-3:N-2:H-1:	N(SeC[5])(CCH)	Se(C[5]N[5]2)(NC)	C(CHN)(NSe)(H)	N(SeC[5])(CCH)	Se(C[5]N[5]2)(NC)	C(CHN)(NSe)(H)	117.0630	0.000	1	117.0630	0.000	1	117.0630	0.000	1	117.0630	0.000	1	117.5290	0.927	4	117.5290	0.927	4
941	921	930	0:SP2_SP2_SP3	N	Se	C	3:2:	4:2:	3:2:1:	C-3:Se-2:	P-4:N-2:	C-3:N-2:H-1:	N(CCH)(SeP)	Se(PC[6]3)(NC)	C(CHN)(NSe)(H)	N(CCH)(SeP)	Se(PC[6]3)(NC)	C(CHN)(NSe)(H)	118.3000	0.465	2	118.3000	0.216	2	117.6843	1.245	3	117.6843	1.245	3	117.5290	0.927	4	117.5290	0.927	4
941	921	930	0:SP2_SP2_SP3	N	Se	C	3:2:	4:2:	3:2:1:	C-3:Se-2:	P-4:N-2:	C-3:N-2:H-1:	N(CCH)(SeP)	Se(PC[6a]3)(NC)	C(CHN)(NSe)(H)	N(CCH)(SeP)	Se(PC[6a]3)(NC)	C(CHN)(NSe)(H)	116.4530	0.000	1	116.4530	0.000	1	117.6843	1.245	3	117.6843	1.245	3	117.5290	0.927	4	117.5290	0.927	4
941	921	992	0:SP2_SP3_SP3	N	Se	P	4:2:	2:2:	3:3:3:2:	P-4:Se-2:	N-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(SeN)	Se(NP)2	P(C[6a]C[6a]2)3(NSe)	N(PC[6a]3)(SeN)	Se(NP)2	P(C[6a]C[6a]2)3(NSe)	124.1365	1.405	2	124.1365	1.974	2	124.1365	1.974	2	124.1365	1.974	2	124.1365	1.974	2	124.1365	1.974	2
941	922	952	0:SP2_SP3_SP3	N	S[6]	S	3:4:	3:3:2:	3:2:1:1:	S[6]-3:S-4:	C[6,6a]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(S[6]C[6,6a]N[6])(SC[6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	S(C[6a]C[6a]2)(NS[6])(O)2	N(S[6]C[6,6a]N[6])(SC[6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NS[6])(O)2	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	120.2925	59.089	2	120.2925	59.089	2
941	922	952	0:SP2_SP3_SP3	N	S[6]	S	3:4:	4:4:2:	3:2:1:1:	S[6]-3:S-4:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(S[6]C[6]2)(SC[6a]OO)	S[6](C[6]S[6]CH)2(NS)	S(C[6a]C[6a]2)(NS[6])(O)2	N(S[6]C[6]2)(SC[6a]OO)	S[6](C[6]S[6]CH)2(NS){1|C<4>}	S(C[6a]C[6a]2)(NS[6])(O)2	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	120.2925	59.089	2	120.2925	59.089	2
941	922	992	0:SP2_SP3_SP3	N	S[6]	P	4:3:	2:2:2:	3:3:3:2:	P-4:S[6]-3:	N[6]-2:N[6]-2:N-2:	C[6]-3:N[5]-3:N-3:N-2:	N(PC[6]N[5]N)(S[6]N[6]2)	S[6](N[6]S[6])2(NP)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	N(PC[6]N[5]N)(S[6]N[6]2)	S[6](N[6]S[6])2(NP){1|N<2>}	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1
941	924	930	0:SP2_SP-NON_SP2	N	Br	C	3:1:	2:	4:3:2:	C-3:Br-1:	N-2:	C-4:N-3:N-2:	N(CCN)(Br)	Br(NC)	C(CBrNN)(NHH)(NBr)	N(CCN)(Br)	Br(NC)	C(CBrNN)(NHH)(NBr)	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1
941	927	941	0:SP2_SP2_SP2	N	B[6a]	N	3:2:	3:3:2:	2:1:	B[6a]-3:N-2:	N[6a]-3:N[6a]-3:N-2:	N-2:N-1:	N(B[6a]N[6a]2)(NN)	B[6a](N[6a]B[6a]H)2(NN)	N(NB[6a])(N)	N(B[6a]N[6a]2)(NN)	B[6a](N[6a]B[6a]H)2(NN){1|N<3>,2|N<2>}	N(NB[6a])(N)	118.5362	1.588	6	118.5362	2.521	6	118.5362	2.521	6	118.5362	2.521	6	118.5362	2.521	6	118.5362	2.521	6
941	928	941	0:SP2_SP2_SPD6	N	Si[5,5]	N	6:2:	3:3:3:3:2:2:	2:1:	Si[5,5]-6:N-2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	N-2:N-1:	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2	N(NSi[5,5])(N)	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<3>,4|N<2>}	N(NSi[5,5])(N)	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	124.7092	5.441	10
941	928	941	0:SP2_SP2_SPD6	N	Si[5]	N	6:2:	3:3:3:3:2:2:	2:1:	Si[5]-6:N-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N-2:N-1:	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N(NSi[5])(N)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N(NSi[5])(N)	124.5280	2.803	2	124.5280	7.857	2	124.6446	6.437	7	124.4906	5.583	9	124.4906	5.583	9	124.7092	5.441	10
941	928	941	0:SP2_SP2_SPD6	N	Si[5]	N	6:2:	3:3:3:3:2:2:	2:1:	Si[5]-6:N-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N-2:N-1:	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N(NSi[5])(N)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N(NSi[5])(N)	125.5730	2.390	2	125.5730	5.712	2	124.6446	6.437	7	124.4906	5.583	9	124.4906	5.583	9	124.7092	5.441	10
941	928	941	0:SP2_SP2_SPD6	N	Si[5]	N	6:2:	3:3:3:3:2:2:	2:1:	Si[5]-6:N-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N-2:N-1:	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N(NSi[5])(N)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N(NSi[5])(N)	124.1033	3.349	3	124.1033	11.213	3	124.6446	6.437	7	124.4906	5.583	9	124.4906	5.583	9	124.7092	5.441	10
941	928	941	0:SP2_SP2_SPD6	N	Si[5]	N	6:2:	3:3:3:3:2:2:	2:1:	Si[5]-6:N-2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N-2:N-1:	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N(NSi[5])(N)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N(NSi[5])(N)	123.9515	2.300	2	123.9515	5.291	2	123.9515	5.291	2	124.4906	5.583	9	124.4906	5.583	9	124.7092	5.441	10
941	928	983	0:SP2_SP1_SPD6	N	Si[5,6,6]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[5,6,6]-6:C-2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	N-2:S-1:	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	C(NSi[5,6,6])(S)	153.2425	12.781	4	153.2425	163.358	4	156.6758	181.456	5	156.6758	181.456	5	158.7875	171.921	6	157.8692	138.840	10
941	928	983	0:SP2_SP1_SPD6	N	Si[5,6,6]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[5,6,6]-6:C-2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	N-2:S-1:	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	C(NSi[5,6,6])(S)	170.4090	0.000	1	170.4090	0.000	1	156.6758	181.456	5	156.6758	181.456	5	158.7875	171.921	6	157.8692	138.840	10
941	928	983	0:SP2_SP1_SPD6	N	Si[5,6,6]	C	6:2:	3:3:2:2:4:2:	2:1:	Si[5,6,6]-6:C-2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	N-2:S-1:	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	C(NSi[5,6,6])(S)	169.3460	0.000	1	169.3460	0.000	1	169.3460	0.000	1	169.3460	0.000	1	158.7875	171.921	6	157.8692	138.840	10
941	928	983	0:SP2_SP1_SPD6	N	Si[5]	C	6:2:	3:3:2:2:2:2:	2:1:	Si[5]-6:C-2:	N[5,6]-3:N[5,6]-3:N-2:N-2:N-2:N-2:	N-2:O-1:	N(Si[5]N[5,6]2N3)(CO)	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4	C(NSi[5])(O)	N(Si[5]N[5,6]2N3)(CO)	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4{2|H<1>,4|C<3>}	C(NSi[5])(O)	156.4917	11.215	4	156.4917	125.768	4	156.4917	125.768	4	156.4917	125.768	4	156.4917	125.768	4	157.8692	138.840	10
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:1:1:	2:1:1:	C-3:C-3:	N-2:H-1:H-1:	N-2:H-1:H-1:	N(CHH)2	C(NC)(H)2	C(NC)(H)2	N(CHH)2	C(NC)(H)2	C(NC)(H)2	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:1:	3:2:1:	C-3:C-3:	O-2:N-2:O-1:	N-3:N-2:S-1:	N(CNS)(COO)	C(OC[6])(NC)(O)	C(NCC)(NC)(S)	N(CNS)(COO)	C(OC[6])(NC)(O)	C(NCC)(NC)(S)	125.6750	0.000	1	125.6750	0.000	1	125.6750	0.000	1	125.6750	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:1:	3:2:2:	C-3:C-3:	C-2:N-2:O-1:	C-3:C-2:N-2:	N(CCC)(CCO)	C(CC[6])(NC)(O)	C(COO)(CN)(NC)	N(CCC)(CCO)	C(CC[6])(NC)(O)	C(COO)(CN)(NC)	121.8850	0.000	1	121.8850	0.000	1	121.8850	0.000	1	121.5120	0.278	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:1:	3:2:2:	C-3:C-3:	N-2:O-2:O-1:	N-3:N-2:N-2:	N(CNN)(COO)	C(NC)(OC)(O)	C(NCH)(NC)2	N(CNN)(COO)	C(NC)(OC)(O)	C(NCH)(NC)2	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	121.5120	0.278	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:1:	3:3:2:	C-3:C-3:	N-2:O-2:O-1:	N-3:N-3:N-2:	N(CNN)(COO)	C(NC)(OC)(O)	C(NCH)2(NC)	N(CNN)(COO)	C(NC)(OC)(O)	C(NCH)2(NC)	120.7597	0.388	3	120.7597	0.151	3	120.7597	0.151	3	120.7597	0.151	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:2:	2:2:1:	C-3:C-3:	N-2:O-2:S-2:	N-2:O-2:O-1:	N(COO)(COS)	C(NC)(OC)(SS)	C(NC)(OC)(O)	N(COO)(COS)	C(NC)(OC)(SS)	C(NC)(OC)(O)	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:2:	2:2:2:	C-3:C-3:	C-2:C-2:N-2:	C-2:C-2:N-2:	N(CCC)2	C(CN)2(NC)	C(CN)2(NC)	N(CCC)2	C(CN)2(NC)	C(CN)2(NC)	127.9585	1.191	2	127.9585	1.420	2	127.9585	1.420	2	125.0470	26.140	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:2:	2:2:2:	C-3:C-3:	N-2:N-2:O-2:	N-2:N-2:O-2:	N(CNO)2	C(NCu)(NC)(OC)	C(NCu)(NC)(OC)	N(CNO)2	C(NCu)(NC)(OC)	C(NCu)(NC)(OC)	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	125.0470	26.140	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:2:2:	3:3:2:	C-3:C-3:	N-2:N-2:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a])(NC)(NH)	C(NHH)2(NC)	N(CNN)2	C(NC[6a])(NC)(NH)	C(NHH)2(NC)	120.0980	1.148	2	120.0980	1.319	2	120.0980	1.319	2	120.0980	1.319	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:3:2:	2:3:2:	C-3:C-3:	N-2:N-3:N-2:	N-2:N-3:N-2:	N(CNN)2	C(NC[6a])(NHH)(NC)	C(NC[6a])(NHH)(NC)	N(CNN)2	C(NC[6a])(NHH)(NC)	C(NC[6a])(NHH)(NC)	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:3:2:	3:3:2:	C-3:C-3:	N-2:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a])(NCC)(NC)	C(NCC)(NHH)(NC)	N(CNN)2	C(NC[6a])(NCC)(NC)	C(NCC)(NHH)(NC)	122.2570	0.000	1	122.2570	0.000	1	121.4967	0.436	3	121.4967	0.436	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:3:2:	3:3:2:	C-3:C-3:	N-2:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a])(NHH)(NC)	C(NHH)2(NC)	N(CNN)2	C(NC[6a])(NHH)(NC)	C(NHH)2(NC)	121.1165	0.071	2	121.1165	0.005	2	121.4967	0.436	3	121.4967	0.436	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	2:4:2:	2:4:2:	C-3:C-3:	N-2:C-4:N-2:	N-2:C-4:N-2:	N(CCN)2	C(NC[6a])(CCFF)(NC)	C(NC[6a])(CCFF)(NC)	N(CCN)2	C(NC[6a])(CCFF)(NC)	C(NC[6a])(CCFF)(NC)	130.8830	2.052	2	130.8830	4.211	2	130.8830	4.211	2	130.8830	4.211	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	2:2:1:	C-3:C-3:	C[6a]-3:N-2:H-1:	N-2:N-2:O-1:	N(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(NC)(H)	C(NC)2(O)	N(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(NC)(H)	C(NC)2(O)	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	120.2940	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	2:2:2:	C-3:C-3:	C-3:N-2:H-1:	N-2:N-2:O-2:	N(CCH)(CNO)	C(CCH)(NC)(H)	C(NC)2(OC)	N(CCH)(CNO)	C(CCH)(NC)(H)	C(NC)2(OC)	120.2610	0.000	1	120.2610	0.000	1	120.2610	0.000	1	119.8070	0.318	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	2:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-2:O-2:S-2:	N(CC[6a]O)(COS)	C(C[6a]C[6a]2)(NC)(O)	C(NC)(OC)(SC)	N(CC[6a]O)(COS)	C(C[6a]C[6a]2)(NC)(O)	C(NC)(OC)(SC)	119.5800	0.571	2	119.5800	0.326	2	119.5800	0.326	2	119.8070	0.318	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:N-2:H-1:	C-3:N-2:O-1:	N(CCH)(CCO)	C(CC[5a]H)(NC)(H)	C(CCC)(NC)(O)	N(CCH)(CCO)	C(CC[5a]H)(NC)(H)	C(CCC)(NC)(O)	124.0385	0.315	2	124.0385	0.099	2	124.0385	0.099	2	122.3014	32.191	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-1:	C[5]-3:N-2:S-1:	N(CC[6a]O)(CC[5]S)	C(C[6a]C[6a]2)(NC)(O)	C(C[5]N[5]2)(NC)(S)	N(CC[6a]O)(CC[5]S)	C(C[6a]C[6a]2)(NC)(O)	C(C[5]N[5]2)(NC)(S)	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	122.3014	32.191	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-2:S-1:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NC)(S)	129.0023	0.307	3	129.0023	0.094	3	129.0023	0.094	3	122.3014	32.191	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-2:Se-1:	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(NC)(O)	C(NCC)(NC)(Se)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(NC)(O)	C(NCC)(NC)(Se)	119.8400	0.000	2	119.8400	0.000	2	119.8400	0.000	2	122.3014	32.191	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	N[6]-3:N-2:H-1:	N[6]-3:N-2:H-1:	N(CN[6]H)2	C(N[6]C[6]2)(NC)(H)	C(N[6]C[6]2)(NC)(H)	N(CN[6]H)2	C(N[6]C[6]2)(NC)(H)	C(N[6]C[6]2)(NC)(H)	114.2395	0.426	2	114.2395	0.182	2	114.2395	0.182	2	122.3014	32.191	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[5a]-3:N-2:H-1:	C-3:C-2:N-2:	N(CC[5a]H)(CCC)	C(C[5a]C[5a,6a]C[5a])(NC)(H)	C(CCN)(CN)(NC)	N(CC[5a]H)(CCC)	C(C[5a]C[5a,6a]C[5a])(NC)(H)	C(CCN)(CN)(NC)	119.3270	0.000	1	119.3270	0.000	1	119.3340	0.000	2	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[5a]-3:N-2:H-1:	C-3:C-2:N-2:	N(CC[5a]H)(CCC)	C(C[5a]C[5a]O[5a])(NC)(H)	C(CCN)(CN)(NC)	N(CC[5a]H)(CCC)	C(C[5a]C[5a]O[5a])(NC)(H)	C(CCN)(CN)(NC)	119.3410	0.000	1	119.3410	0.000	1	119.3340	0.000	2	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:H-1:	C-3:C-2:N-2:	N(CC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C(CCN)(CN)(NC)	N(CC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C(CCN)(CN)(NC)	120.8390	0.000	1	120.8390	0.000	1	120.2965	0.433	33	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:H-1:	C-3:C-2:N-2:	N(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(NC)(H)	C(CCN)(CN)(NC)	N(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(NC)(H)	C(CCN)(CN)(NC)	120.2796	0.661	32	120.2796	0.437	32	120.2965	0.433	33	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	C-3:N-2:S-2:	N(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(NC)(O)	C(CCN)(NC)(SC)	N(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(NC)(O)	C(CCN)(NC)(SC)	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C(C[6a]C[6a]2)(NC)2	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C(C[6a]C[6a]2)(NC)2	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-2:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)(NC)2	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)(NC)2	127.6035	0.800	2	127.6035	0.640	2	125.8407	8.206	4	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-2:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NN[6])(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NN[6])(NC)	121.6750	0.000	1	121.6750	0.000	1	125.8407	8.206	4	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-2:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]N[6a])(NC)(O)	C(NHH)(NC)(NH)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]N[6a])(NC)(O)	C(NHH)(NC)(NH)	126.4810	0.000	1	126.4810	0.000	1	125.8407	8.206	4	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(NC)(O)	C(NCC)(SPt)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(NC)(O)	C(NCC)(SPt)(NC)	124.2650	1.725	8	124.2650	2.977	8	124.4539	2.926	9	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)(SPt)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)(SPt)(NC)	125.9650	0.000	1	125.9650	0.000	1	124.4539	2.926	9	121.5964	5.906	50	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[5a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[5a]O)(CNN)	C(C[5a]C[5a]N[5a])(NC)(O)	C(NHH)2(NC)	N(CC[5a]O)(CNN)	C(C[5a]C[5a]N[5a])(NC)(O)	C(NHH)2(NC)	126.5910	0.000	1	126.5910	0.000	1	123.3365	21.184	2	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[5a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[5a]O)(CNN)	C(C[5a]C[5a]S[5a])(NC)(O)	C(NC[6a]H)2(NC)	N(CC[5a]O)(CNN)	C(C[5a]C[5a]S[5a])(NC)(O)	C(NC[6a]H)2(NC)	120.0820	0.000	1	120.0820	0.000	1	123.3365	21.184	2	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:H-1:	C-3:N-3:N-2:	N(CC[6a]H)(CCN)	C(C[6a]C[6a]2)(NC)(H)	C(CC[6a]O)(NCS)(NC)	N(CC[6a]H)(CCN)	C(C[6a]C[6a]2)(NC)(H)	C(CC[6a]O)(NCS)(NC)	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)	C(C[6a]C[6a]2)2(NC)	124.1805	0.395	2	124.1805	0.156	2	124.1805	0.156	2	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	C(C[6a]C[6a]2)2(NC)	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)(NHH)(NC)	128.0290	0.000	1	128.0290	0.000	1	121.0148	7.394	10	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)2(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NCH)2(NC)	121.8100	0.000	1	121.8100	0.000	1	121.0148	7.394	10	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NCC)(NC)	119.4475	2.737	2	119.4475	7.492	2	121.0148	7.394	10	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)(NCH)(NC)	120.3008	0.369	5	120.3008	0.136	5	121.0148	7.394	10	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:O-1:	N-3:N-3:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)2(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	C(NC[6a]H)2(NC)	119.9100	0.000	1	119.9100	0.000	1	121.0148	7.394	10	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	N-3:N-2:O-1:	N-3:N-3:N-2:	N(CNN)(CNO)	C(NC[6a]2)(NC)(O)	C(NCC)2(NC)	N(CNN)(CNO)	C(NC[6a]2)(NC)(O)	C(NCC)2(NC)	119.5040	0.000	1	119.5040	0.000	1	119.5040	0.000	1	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	N-3:N-2:S-1:	N-3:N-3:N-2:	N(CNN)(CNS)	C(NC[6a]H)(NC)(S)	C(NCC)2(NC)	N(CNN)(CNS)	C(NC[6a]H)(NC)(S)	C(NCC)2(NC)	120.8410	0.000	1	120.8410	0.000	1	126.3587	22.714	4	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	N-3:N-2:S-1:	N-3:N-3:N-2:	N(CNN)(CNS)	C(NHH)(NC)(S)	C(NHH)2(NC)	N(CNN)(CNS)	C(NHH)(NC)(S)	C(NHH)2(NC)	128.1980	3.711	3	128.1980	13.773	3	126.3587	22.714	4	122.6814	12.804	21	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	C[6a]-3:N-2:H-1:	C-4:N-2:O-1:	N(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(NC)(H)	C(CHHN)(NC)(O)	N(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(NC)(H)	C(CHHN)(NC)(O)	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:1:1:	C-3:C-3:	N-3:N-2:N-2:	N-2:S-1:S-1:	N(CNN)(CSS)	C(NHH)(NC)2	C(NC)(S)2	N(CNN)(CSS)	C(NHH)(NC)2	C(NC)(S)2	133.5680	0.000	1	133.5680	0.000	1	133.5680	0.000	1	133.5680	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:1:	C-3:C-3:	C-3:S-2:N-2:	N-2:O-2:O-1:	N(CCS)(COO)	C(CC[6a]N)(SC[6a])(NC)	C(NC)(OC)(O)	N(CCS)(COO)	C(CC[6a]N)(SC[6a])(NC)	C(NC)(OC)(O)	119.2440	0.000	1	119.2440	0.000	1	119.2440	0.000	1	123.2357	27.518	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:1:	C-3:C-3:	C[6]-3:N-2:N-2:	N-2:N-2:O-1:	N(CC[6]N)(CNO)	C(C[6]C[6]2)(NC[6])(NC)	C(NC[6])(NC)(O)	N(CC[6]N)(CNO)	C(C[6]C[6]2)(NC[6])(NC)	C(NC[6])(NC)(O)	129.9280	0.000	1	129.9280	0.000	1	129.9280	0.000	1	123.2357	27.518	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:1:	C-3:C-3:	C[6a]-3:S-2:N-2:	N-2:O-2:O-1:	N(CC[6a]S)(COO)	C(C[6a]C[6a,6a]C[6a])(SC[6a])(NC)	C(NC)(OC)(O)	N(CC[6a]S)(COO)	C(C[6a]C[6a,6a]C[6a])(SC[6a])(NC)	C(NC)(OC)(O)	118.8700	0.000	1	118.8700	0.000	1	118.8700	0.000	1	123.2357	27.518	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:1:	C-3:C-3:	N-3:N-2:N-2:	N-2:N-2:N-1:	N(CNN)2	C(NCC)(NPt)(NC)	C(NPt)(NC)(N)	N(CNN)2	C(NCC)(NPt)(NC)	C(NPt)(NC)(N)	124.9010	0.000	1	124.9010	0.000	1	124.9010	0.000	1	123.2357	27.518	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	S-2:N-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPt)(NC)	C(SPt)(NC)2	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPt)(NC)	C(SPt)(NC)2	126.8670	0.000	1	126.8670	0.000	1	127.5620	0.966	2	124.5345	20.752	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	S-2:N-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(SRe)(NC)2	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(SRe)(NC)2	128.2570	0.000	1	128.2570	0.000	1	127.5620	0.966	2	124.5345	20.752	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:2:	C-3:C-3:	N-3:N-2:O-2:	N-2:N-2:O-2:	N(CNO)2	C(NNiH)(NC)(OC)	C(NNi)(NC)(OC)	N(CNO)2	C(NNiH)(NC)(OC)	C(NNi)(NC)(OC)	117.9980	0.000	1	117.9980	0.000	1	117.9980	0.000	1	124.5345	20.752	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:2:2:	C-3:C-3:	N[6]-3:S-2:N-2:	O-2:O-2:N-2:	N(CN[6]S)(COO)	C(N[6]C[6]2)(SPt)(NC)	C(OC[6])(OPt)(NC)	N(CN[6]S)(COO)	C(N[6]C[6]2)(SPt)(NC)	C(OC[6])(OPt)(NC)	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	124.5345	20.752	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:3:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	Se-2:N-3:N-2:	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(OFe)(NC)	C(SeFe)(NCC)(NC)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(OFe)(NC)	C(SeFe)(NCC)(NC)	126.1065	0.920	6	126.1065	0.847	6	126.5825	0.862	10	126.5825	0.862	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:3:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	Se-2:N-3:N-2:	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(OPd)(NC)	C(SePd)(NCC)(NC)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(OPd)(NC)	C(SePd)(NCC)(NC)	127.3003	0.248	3	127.3003	0.061	3	126.5825	0.862	10	126.5825	0.862	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	2:3:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	Se-2:N-3:N-2:	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(ORu)(NC)	C(SeRu)(NCC)(NC)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(ORu)(NC)	C(SeRu)(NCC)(NC)	127.2850	0.000	1	127.2850	0.000	1	126.5825	0.862	10	126.5825	0.862	10	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C-3:C-2:N-2:	C-3:N-2:H-1:	N(CCC)(CCH)	C(CCN)(CN)(NC)	C(CCH)(NC)(H)	N(CCC)(CCH)	C(CCN)(CN)(NC)	C(CCH)(NC)(H)	120.4237	0.100	3	120.4237	0.010	3	120.4237	0.010	3	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C-3:C-2:N-2:	N-3:N-2:H-1:	N(CCC)(CHN)	C(CCN)(CN)(NC)	C(NCC)(NC)(H)	N(CCC)(CHN)	C(CCN)(CN)(NC)	C(NCC)(NC)(H)	118.0550	0.185	2	118.0550	0.034	2	118.0550	0.034	2	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C-3:O-2:N-2:	N-3:N-2:O-1:	N(CCO)(CNO)	C(COO)(OCo)(NC)	C(NHH)(NC)(O)	N(CCO)(CNO)	C(COO)(OCo)(NC)	C(NHH)(NC)(O)	127.2820	0.000	1	127.2820	0.000	1	127.2820	0.000	1	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-2:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN)(NC)	C(CBr2)(NC)(H)	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN)(NC)	C(CBr2)(NC)(H)	120.3890	0.000	1	120.3890	0.000	1	120.3890	0.000	1	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:N-2:	N-3:N-2:H-1:	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NO)	C(NCC)(NC)(H)	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NO)	C(NCC)(NC)(H)	117.0090	0.000	1	117.0090	0.000	1	118.0960	2.363	2	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:N-2:	N-3:N-2:H-1:	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NS)	C(NCC)(NC)(H)	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NS)	C(NCC)(NC)(H)	119.1830	0.000	1	119.1830	0.000	1	118.0960	2.363	2	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-2:	C[6a]-3:N-2:O-1:	N(CC[6a]O)2	C(C[6a]C[6a]N[6a])(NC)(OC)	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]O)2	C(C[6a]C[6a]N[6a])(NC)(OC)	C(C[6a]C[6a]N[6a])(NC)(O)	123.7990	0.000	1	123.7990	0.000	1	123.7990	0.000	1	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-2:	N-3:N-2:S-1:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(OC)	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(OC)	C(NC[6a]H)(NC)(S)	129.4340	0.000	1	129.4340	0.000	1	129.4340	0.000	1	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	N-3:N-2:O-2:	C-3:N-2:H-1:	N(CCH)(CNO)	C(NCH)(NC)(OC)	C(CCC)(NC)(H)	N(CCH)(CNO)	C(NCH)(NC)(OC)	C(CCC)(NC)(H)	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	121.1364	14.508	12	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C-3:N-2:O-2:	C-3:N-2:O-2:	N(CCO)2	C(CCC)(NC)(OC)	C(CCH)(NC)(OC)	N(CCO)2	C(CCC)(NC)(OC)	C(CCH)(NC)(OC)	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C-3:O-2:N-2:	N-3:S-2:N-2:	N(CCO)(CNS)	C(CCH)(ONi)(NC)	C(NCC)(SNi)(NC)	N(CCO)(CNS)	C(CCH)(ONi)(NC)	C(NCC)(SNi)(NC)	124.3630	0.000	1	124.3630	0.000	1	125.8237	1.631	3	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C-3:O-2:N-2:	N-3:S-2:N-2:	N(CCO)(CNS)	C(CCH)(OZn)(NC)	C(NCC)(SZn)(NC)	N(CCO)(CNS)	C(CCH)(OZn)(NC)	C(NCC)(SZn)(NC)	126.5540	0.250	2	126.5540	0.063	2	125.8237	1.631	3	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[5a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(OCo)(NC)	C(NC[6a]2)(SCo)(NC)	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(OCo)(NC)	C(NC[6a]2)(SCo)(NC)	123.3870	0.431	3	123.3870	0.185	3	123.8776	0.578	9	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[5a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(OCu)(NC)	C(NCC)(SCu)(NC)	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(OCu)(NC)	C(NCC)(SCu)(NC)	124.8160	0.771	2	124.8160	0.594	2	123.8776	0.578	9	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[5a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(ONi)(NC)	C(NCC)(SNi)(NC)	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(ONi)(NC)	C(NCC)(SNi)(NC)	123.3450	0.508	2	123.3450	0.258	2	123.8776	0.578	9	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[5a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(ONi)(NC)	C(NC[6a]2)(SNi)(NC)	N(CC[5a]O)(CNS)	C(C[5a]C[5a]O[5a])(ONi)(NC)	C(NC[6a]2)(SNi)(NC)	124.2075	0.361	2	124.2075	0.131	2	123.8776	0.578	9	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:O-2:N-2:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NRu)(NC)	C(C[6a]C[6a]2)(ORu)(NC)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NRu)(NC)	C(C[6a]C[6a]2)(ORu)(NC)	123.7500	0.000	1	123.7500	0.000	1	123.7500	0.000	1	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(NC)	C(C[6a]C[6a]2)(NC)2	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(NC)	C(C[6a]C[6a]2)(NC)2	130.0940	0.000	1	130.0940	0.000	1	130.0940	0.000	1	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:N-2:S-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPd)(NC)	C(NPdC)(NC)(SC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPd)(NC)	C(NPdC)(NC)(SC)	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(OPd)(NC)	C(NCC)(SPd)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(OPd)(NC)	C(NCC)(SPd)(NC)	125.9000	0.250	2	125.9000	0.063	2	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCo)(NC)	C(NC[6a]2)(SCo)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCo)(NC)	C(NC[6a]2)(SCo)(NC)	124.6757	1.342	3	124.6757	1.800	3	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCu)(NC)	C(NCC)(SCu)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OCu)(NC)	C(NCC)(SCu)(NC)	123.8385	1.268	6	123.8385	1.608	6	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C(NCC)(SNi)(NC)	123.7537	0.999	9	123.7537	0.997	9	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C(NC[6a]2)(SNi)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ONi)(NC)	C(NC[6a]2)(SNi)(NC)	122.0920	0.286	2	122.0920	0.082	2	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPd)(NC)	C(NCC)(SPd)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPd)(NC)	C(NCC)(SPd)(NC)	126.8945	0.013	2	126.8945	0.000	2	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPt)(NC)	C(NCC)(SPt)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OPt)(NC)	C(NCC)(SPt)(NC)	127.8208	0.905	12	127.8208	0.819	12	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(NCC)(SRe)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(NCC)(SRe)(NC)	128.2367	0.901	7	128.2367	0.812	7	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(NC[6a]2)(SRe)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(NC[6a]2)(SRe)(NC)	124.3450	1.151	2	124.3450	1.325	2	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(NC[6a]C)(SRe)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORe)(NC)	C(NC[6a]C)(SRe)(NC)	125.2905	2.835	4	125.2905	8.035	4	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORh)(NC)	C(NC[6a]2)(SRh)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORh)(NC)	C(NC[6a]2)(SRh)(NC)	126.7920	0.000	1	126.7920	0.000	1	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORu)(NC)	C(NCC)(SRu)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(ORu)(NC)	C(NCC)(SRu)(NC)	126.6600	0.000	1	126.6600	0.000	1	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OTc)(NC)	C(NC[6a]2)(STc)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OTc)(NC)	C(NC[6a]2)(STc)(NC)	125.3920	2.868	2	125.3920	8.226	2	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:S-2:N-2:	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OZn)(NC)	C(NC[6a]2)(SZn)(NC)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(OZn)(NC)	C(NC[6a]2)(SZn)(NC)	126.4530	0.000	1	126.4530	0.000	1	125.7900	4.908	54	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N[6]-3:S-2:N-2:	N(CC[6a]O)(CN[6]S)	C(C[6a]C[6a]2)(ORe)(NC)	C(N[6]C[6]2)(SRe)(NC)	N(CC[6a]O)(CN[6]S)	C(C[6a]C[6a]2)(ORe)(NC)	C(N[6]C[6]2)(SRe)(NC)	122.6480	0.000	1	122.6480	0.000	1	122.6480	0.000	1	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:N-2:O-2:	N-3:N-2:O-2:	N(CNO)2	C(NCuH)(NC)(OC)	C(NCuH)(NC)(OC)	N(CNO)2	C(NCuH)(NC)(OC)	C(NCuH)(NC)(OC)	119.8480	0.249	2	119.8480	0.062	2	119.1097	1.666	3	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:N-2:O-2:	N-3:N-2:O-2:	N(CNO)2	C(NNiH)(NC)(OC)	C(NNiH)(NC)(OC)	N(CNO)2	C(NNiH)(NC)(OC)	C(NNiH)(NC)(OC)	117.6330	0.000	1	117.6330	0.000	1	119.1097	1.666	3	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:O-2:N-2:	N-3:S-2:N-2:	N(CNO)(CNS)	C(NCC)(OCo)(NC)	C(NCC)(SCo)(NC)	N(CNO)(CNS)	C(NCC)(OCo)(NC)	C(NCC)(SCo)(NC)	123.8200	1.152	3	123.8200	1.327	3	123.9500	0.492	12	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:O-2:N-2:	N-3:S-2:N-2:	N(CNO)(CNS)	C(NCC)(OFe)(NC)	C(NCC)(SFe)(NC)	N(CNO)(CNS)	C(NCC)(OFe)(NC)	C(NCC)(SFe)(NC)	124.2011	0.466	7	124.2011	0.217	7	123.9500	0.492	12	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:O-2:N-2:	N-3:S-2:N-2:	N(CNO)(CNS)	C(NCC)(ONi)(NC)	C(NCC)(SNi)(NC)	N(CNO)(CNS)	C(NCC)(ONi)(NC)	C(NCC)(SNi)(NC)	123.2660	0.154	2	123.2660	0.024	2	123.9500	0.492	12	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:S-2:N-2:	N-3:S-2:N-2:	N(CNS)2	C(NCC)(SCd)(NC)	C(NCC)(SCd)(NC)	N(CNS)2	C(NCC)(SCd)(NC)	C(NCC)(SCd)(NC)	131.5990	1.713	4	131.5990	2.933	4	128.2229	5.541	21	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:S-2:N-2:	N-3:S-2:N-2:	N(CNS)2	C(NCC)(SCo)(NC)	C(NCC)(SCo)(NC)	N(CNS)2	C(NCC)(SCo)(NC)	C(NCC)(SCo)(NC)	127.2888	1.023	6	127.2888	1.047	6	128.2229	5.541	21	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:S-2:N-2:	N-3:S-2:N-2:	N(CNS)2	C(NCC)(SNi)(NC)	C(NCC)(SNi)(NC)	N(CNS)2	C(NCC)(SNi)(NC)	C(NCC)(SNi)(NC)	126.9656	0.261	5	126.9656	0.068	5	128.2229	5.541	21	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:S-2:N-2:	N-3:S-2:N-2:	N(CNS)2	C(NCC)(SZn)(NC)	C(NCC)(SZn)(NC)	N(CNS)2	C(NCC)(SZn)(NC)	C(NCC)(SZn)(NC)	129.6665	0.468	4	129.6665	0.219	4	128.2229	5.541	21	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N-3:S-2:N-2:	N-3:S-2:N-2:	N(CNS)2	C(NHH)(SNi)(NC)	C(NHH)(SNi)(NC)	N(CNS)2	C(NHH)(SNi)(NC)	C(NHH)(SNi)(NC)	124.5290	1.220	2	124.5290	1.490	2	128.2229	5.541	21	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	N[6]-3:N-2:N-2:	N-3:N-2:N-2:	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NCu)(NC)	C(NCuH)(NC)(NH)	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NCu)(NC)	C(NCuH)(NC)(NH)	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	125.6046	7.469	108	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	C(C[6a]C[6a]2)(NCH)(NC)	121.2175	0.575	2	121.2175	0.330	2	122.0593	2.291	3	122.0607	1.528	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	C(C[6a]C[6a]2)(NHH)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	C(C[6a]C[6a]2)(NHH)(NC)	123.7430	0.000	1	123.7430	0.000	1	122.0593	2.291	3	122.0607	1.528	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	3:3:2:	C-3:C-3:	C[6a]-3:O-2:N-2:	N-3:N-3:N-2:	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(OCu)(NC)	C(NC[6a]Cu)(NCH)(NC)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(OCu)(NC)	C(NC[6a]Cu)(NCH)(NC)	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	122.0607	1.528	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	4:2:2:	C-3:C-3:	N[5]-3:S-2:N-2:	C-4:O-2:N-2:	N(CN[5]S)(CCO)	C(N[5]C[5]2)(SRh)(NC)	C(CC3)(ORh)(NC)	N(CN[5]S)(CCO)	C(N[5]C[5]2)(SRh)(NC)	C(CC3)(ORh)(NC)	127.8183	0.812	3	127.8183	0.659	3	127.8183	0.659	3	127.7966	0.786	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:2:2:	4:2:2:	C-3:C-3:	N[6]-3:S-2:N-2:	C-4:O-2:N-2:	N(CN[6]S)(CCO)	C(N[6]C[6]2)(SPt)(NC)	C(CC3)(OPt)(NC)	N(CN[6]S)(CCO)	C(N[6]C[6]2)(SPt)(NC)	C(CC3)(OPt)(NC)	127.7640	1.349	2	127.7640	1.820	2	127.7640	1.820	2	127.7966	0.786	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	C[6a]-3:C-3:N-2:	N-2:O-2:O-1:	N(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CNS)(NC)	C(NC)(OC)(O)	N(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CNS)(NC)	C(NC)(OC)(O)	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.4972	1.099	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	C[6a]-3:N[6]-3:N-2:	N-2:O-2:O-1:	N(CC[6a]N[6])(COO)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C(NC)(OC)(O)	N(CC[6a]N[6])(COO)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	C(NC)(OC)(O)	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	119.4972	1.099	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	N-3:N-3:N-2:	N-2:O-2:O-1:	N(CNN)(COO)	C(NCH)(NHH)(NC)	C(NC)(OC)(O)	N(CNN)(COO)	C(NCH)(NHH)(NC)	C(NC)(OC)(O)	117.3570	0.000	1	117.3570	0.000	1	119.3200	1.342	6	119.4972	1.099	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	N-3:N-3:N-2:	N-2:O-2:O-1:	N(CNN)(COO)	C(NC[6a]C)(NHH)(NC)	C(NC)(OC)(O)	N(CNN)(COO)	C(NC[6a]C)(NHH)(NC)	C(NC)(OC)(O)	118.8290	0.000	1	118.8290	0.000	1	119.3200	1.342	6	119.4972	1.099	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	N-3:N-3:N-2:	N-2:O-2:O-1:	N(CNN)(COO)	C(NC[6a]H)(NCH)(NC)	C(NC)(OC)(O)	N(CNN)(COO)	C(NC[6a]H)(NCH)(NC)	C(NC)(OC)(O)	119.9335	0.608	4	119.9335	0.370	4	119.3200	1.342	6	119.4972	1.099	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:2:	C-3:C-3:	C-3:C-3:N-2:	N-2:O-2:S-2:	N(CCC)(COS)	C(CHN)(COO)(NC)	C(NC)(OC)(SC)	N(CCC)(COS)	C(CHN)(COO)(NC)	C(NC)(OC)(SC)	119.2380	0.000	1	119.2380	0.000	1	119.2380	0.000	1	123.4715	35.845	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	S-2:N-2:N-2:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReN)(NC)	C(SRe)(NC)2	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReN)(NC)	C(SRe)(NC)2	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	123.4715	35.845	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:3:2:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:N-2:	N(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(NC)	C(NN[6])(CCH)(NC)	N(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(NC)	C(NN[6])(CCH)(NC)	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	120.7246	0.884	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-2:N-3:N-2:	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NC[6a])(NHH)(NC)	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NC[6a])(NHH)(NC)	120.8588	1.051	6	120.8588	1.105	6	120.7337	1.030	7	120.7246	0.884	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	2:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-2:N-3:N-2:	N(CNN)2	C(NC[6a]H)(NNiH)(NC)	C(NC[6a])(NNiH)(NC)	N(CNN)2	C(NC[6a]H)(NNiH)(NC)	C(NC[6a])(NNiH)(NC)	119.9830	0.000	1	119.9830	0.000	1	120.7337	1.030	7	120.7246	0.884	8	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C-3:N-3:N-2:	C-3:N-2:H-1:	N(CCH)(CCN)	C(CCH)(NCS)(NC)	C(CCC)(NC)(H)	N(CCH)(CCN)	C(CCH)(NCS)(NC)	C(CCC)(NC)(H)	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(NC)(H)	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(NC)	C(CCO)(NC)(H)	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(NC)	C(CCO)(NC)(H)	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CC[6]H)(NC)(H)	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CC[6]H)(NC)(H)	121.8240	0.000	1	121.8240	0.000	1	121.1154	0.259	5	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CC[6a]H)(NC)(H)	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CC[6a]H)(NC)(H)	120.7635	0.497	2	120.7635	0.247	2	121.1154	0.259	5	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CN[5a]F)(NC)(H)	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CN[5a]F)(NC)(H)	120.9720	0.000	1	120.9720	0.000	1	121.1154	0.259	5	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CSS)(NC)(H)	N(CC[6a]2)(CCH)	C(C[6a]C[6a]2)2(NC)	C(CSS)(NC)(H)	121.2540	0.000	1	121.2540	0.000	1	121.1154	0.259	5	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:	N(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(NC)	C(NC[6a]2)(NC)(O)	N(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(NC)	C(NC[6a]2)(NC)(O)	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NCH)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NCH)(NC)	C(C[6a]C[6a]2)(NC)(O)	121.5130	0.000	1	121.5130	0.000	1	122.6388	4.599	4	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(NC)	C(C[6a]C[6a]2)(NC)(O)	122.6320	0.000	1	122.6320	0.000	1	122.6388	4.599	4	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(C[6a]C[6a]2)(NC)(O)	120.7670	0.000	1	120.7670	0.000	1	122.6388	4.599	4	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	C(C[6a]C[6a]N[6a])(NC)(O)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	C(C[6a]C[6a]N[6a])(NC)(O)	125.6430	0.000	1	125.6430	0.000	1	122.6388	4.599	4	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-2:O-1:	N(CC[6a]N)(CNO)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C(NCC)(NC)(O)	N(CC[6a]N)(CNO)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C(NCC)(NC)(O)	121.9820	0.000	1	121.9820	0.000	1	122.4697	1.124	3	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-2:O-1:	N(CC[6a]N)(CNO)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C(NC[6a]2)(NC)(O)	N(CC[6a]N)(CNO)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	C(NC[6a]2)(NC)(O)	122.7135	1.375	2	122.7135	1.892	2	122.4697	1.124	3	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-2:S-1:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(NCC)(NC)(S)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(NCC)(NC)(S)	123.3560	1.664	6	123.3560	2.770	6	123.9216	4.547	7	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-2:S-1:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NHN)(NC)	C(NCC)(NC)(S)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NHN)(NC)	C(NCC)(NC)(S)	127.3150	0.000	1	127.3150	0.000	1	123.9216	4.547	7	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	N-3:N-3:N-2:	C-3:N-2:O-1:	N(CCO)(CNN)	C(NCH)(NHH)(NC)	C(CCH)(NC)(O)	N(CCO)(CNN)	C(NCH)(NHH)(NC)	C(CCH)(NC)(O)	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	N[5a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]O)(CN[5a]N)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]O)(CN[5a]N)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	C(C[6a]C[6a]2)(NC)(O)	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	121.9966	5.455	25	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:C-2:N-2:	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C(CC[6a]H)(CN)(NC)	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C(CC[6a]H)(CN)(NC)	123.4347	1.386	3	123.4347	1.921	3	123.4347	1.921	3	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	122.6730	0.000	1	122.6730	0.000	1	122.0793	0.998	3	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Li)(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Li)(NC)	C(C[6a]C[6a]2)(NC[6a])(NC)	120.9260	0.000	1	120.9260	0.000	1	122.0793	0.998	3	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NPdH)(NC)	C(C[6a]C[6a]2)(NPd)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NPdH)(NC)	C(C[6a]C[6a]2)(NPd)(NC)	122.6390	0.000	1	122.6390	0.000	1	122.0793	0.998	3	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:O-2:N-2:	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C(C[6a]C[6a]2)(OAl)(NC)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C(C[6a]C[6a]2)(OAl)(NC)	121.8025	0.921	6	121.8025	0.847	6	121.8025	0.847	6	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:S-2:N-2:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC)	C(NCC)(SCu)(NC)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC)	C(NCC)(SCu)(NC)	126.8410	0.000	1	126.8410	0.000	1	128.1334	3.959	13	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:S-2:N-2:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]Ni)(NC)	C(NCC)(SNi)(NC)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NC[6a]Ni)(NC)	C(NCC)(SNi)(NC)	124.9480	0.000	1	124.9480	0.000	1	128.1334	3.959	13	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:S-2:N-2:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReC)(NC)	C(NCC)(SRe)(NC)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReC)(NC)	C(NCC)(SRe)(NC)	130.1870	0.000	1	130.1870	0.000	1	128.1334	3.959	13	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:S-2:N-2:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReN)(NC)	C(NCC)(SRe)(NC)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NReN)(NC)	C(NCC)(SRe)(NC)	128.4990	1.921	9	128.4990	3.690	9	128.1334	3.959	13	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:S-2:N-2:	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NTcN)(NC)	C(NCC)(STc)(NC)	N(CC[6a]N)(CNS)	C(C[6a]C[6a]2)(NTcN)(NC)	C(NCC)(STc)(NC)	127.2670	0.000	1	127.2670	0.000	1	128.1334	3.959	13	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-2:N-2:	N(CNN)2	C(NCC)(NHH)(NC)	C(NCH)(NC)2	N(CNN)2	C(NCC)(NHH)(NC)	C(NCH)(NC)2	122.6430	0.000	1	122.6430	0.000	1	122.1960	6.542	6	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-2:N-2:	N(CNN)2	C(NCC)(NHH)(NC)	C(NHH)(NC)(NH)	N(CNN)2	C(NCC)(NHH)(NC)	C(NHH)(NC)(NH)	123.5460	0.000	1	123.5460	0.000	1	122.1960	6.542	6	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-2:N-2:	N(CNN)2	C(NCC)(NHH)(NC)	C(NHH)(NC)2	N(CNN)2	C(NCC)(NHH)(NC)	C(NHH)(NC)2	123.1430	0.000	1	123.1430	0.000	1	122.1960	6.542	6	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-2:N-2:	N(CNN)2	C(NNiH)(NCC)(NC)	C(NHH)(NNi)(NC)	N(CNN)2	C(NNiH)(NCC)(NC)	C(NHH)(NNi)(NC)	125.5440	0.000	1	125.5440	0.000	1	122.1960	6.542	6	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-2:N-2:	N(CNN)2	C(NNiH)(NHH)(NC)	C(NCC)(NNi)(NC)	N(CNN)2	C(NNiH)(NHH)(NC)	C(NCC)(NNi)(NC)	119.1500	0.154	2	119.1500	0.024	2	122.1960	6.542	6	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-2:O-2:	N(CNN)(CNO)	C(NNiH)(NHH)(NC)	C(NNiH)(NC)(OC)	N(CNN)(CNO)	C(NNiH)(NHH)(NC)	C(NNiH)(NC)(OC)	118.4625	0.301	2	118.4625	0.090	2	118.4625	0.090	2	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	N[5a]-3:N-2:N-2:	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	C(N[5a]C[5a]N[5a])(NC)(NH)	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	C(N[5a]C[5a]N[5a])(NC)(NH)	118.0310	0.130	2	118.0310	0.017	2	118.0310	0.017	2	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N[6]-3:N-3:N-2:	N-3:N-2:N-2:	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NHH)(NC)	C(NCH)(NC)2	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NHH)(NC)	C(NCH)(NC)2	123.2430	0.000	1	123.2430	0.000	1	123.2430	0.000	1	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:2:2:	C-3:C-3:	N[6]-3:N-3:N-2:	N[6]-3:O-2:N-2:	N(CN[6]N)(CN[6]O)	C(N[6]C[6]2)(NPtH)(NC)	C(N[6]C[6]2)(OPt)(NC)	N(CN[6]N)(CN[6]O)	C(N[6]C[6]2)(NPtH)(NC)	C(N[6]C[6]2)(OPt)(NC)	123.6730	0.000	1	123.6730	0.000	1	123.6730	0.000	1	123.9505	14.061	37	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C-3:C-3:N-2:	C-3:C-3:N-2:	N(CCC)2	C(CC[5a]H)(COO)(NC)	C(CC[5a]H)(COO)(NC)	N(CCC)2	C(CC[5a]H)(COO)(NC)	C(CC[5a]H)(COO)(NC)	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C-3:N-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CCN)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CCN)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)2(NC)	124.4120	0.000	1	124.4120	0.000	1	124.4120	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6]-3:N-3:N-2:	C[6]-3:N-3:N-2:	N(CC[6]N)2	C(C[6]C[6]2)(NNiH)(NC)	C(C[6]C[6]2)(NNiH)(NC)	N(CC[6]N)2	C(C[6]C[6]2)(NNiH)(NC)	C(C[6]C[6]2)(NNiH)(NC)	120.2040	0.068	2	120.2040	0.005	2	120.6928	0.340	4	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6]-3:N-3:N-2:	C[6]-3:N-3:N-2:	N(CC[6]N)2	C(C[6]C[6]2)(NPdH)(NC)	C(C[6]C[6]2)(NPdH)(NC)	N(CC[6]N)2	C(C[6]C[6]2)(NPdH)(NC)	C(C[6]C[6]2)(NPdH)(NC)	121.1815	0.244	2	121.1815	0.060	2	120.6928	0.340	4	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-3:C-3:N-2:	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C(CHN)(CNO)(NC)	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C(CHN)(CNO)(NC)	124.2590	0.068	2	124.2590	0.005	2	124.2590	0.005	2	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)2	C(C[6a]C[6a]2)2(NC)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)2	C(C[6a]C[6a]2)2(NC)	C(C[6a]C[6a]2)2(NC)	128.8680	0.000	1	128.8680	0.000	1	128.8680	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	C(C[6a]C[6a]2)(NC[6a]Al)(NC)	126.7730	0.649	2	126.7730	0.421	2	122.7845	11.582	6	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C(C[6a]C[6a]2)(NPtH)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C(C[6a]C[6a]2)(NPtH)(NC)	122.9060	0.000	1	122.9060	0.000	1	122.7845	11.582	6	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]N[6a])(NCuH)(NC)	C(C[6a]C[6a]N[6a])(NCuH)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]N[6a])(NCuH)(NC)	C(C[6a]C[6a]N[6a])(NCuH)(NC)	120.8505	0.528	2	120.8505	0.279	2	122.7845	11.582	6	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)2	C(C[6a]C[6a]N[6a])(NNiH)(NC)	C(C[6a]C[6a]N[6a])(NNiH)(NC)	N(CC[6a]N)2	C(C[6a]C[6a]N[6a])(NNiH)(NC)	C(C[6a]C[6a]N[6a])(NNiH)(NC)	118.5540	0.000	1	118.5540	0.000	1	122.7845	11.582	6	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-3:N-2:	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(NPtH)(NCC)(NC)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	C(NPtH)(NCC)(NC)	125.2760	0.000	1	125.2760	0.000	1	123.8574	1.592	8	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-3:N-2:	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C(NPtH)(NCC)(NC)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C(NPtH)(NCC)(NC)	123.5662	0.375	5	123.5662	0.140	5	123.8574	1.592	8	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-3:N-2:	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NPtH)(NC)	C(NCC)2(NC)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NPtH)(NC)	C(NCC)2(NC)	125.8940	0.000	1	125.8940	0.000	1	123.8574	1.592	8	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	N-3:N-3:N-2:	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NPtH)(NC)	C(NC[6a]Pt)(NC[6a]H)(NC)	N(CC[6a]N)(CNN)	C(C[6a]C[6a]2)(NPtH)(NC)	C(NC[6a]Pt)(NC[6a]H)(NC)	121.8580	0.000	1	121.8580	0.000	1	123.8574	1.592	8	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NCC)(NHH)(NC)	C(NHH)2(NC)	N(CNN)2	C(NCC)(NHH)(NC)	C(NHH)2(NC)	121.4131	1.400	15	121.4131	1.961	15	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Al)(NC[6a]H)(NC)	C(NC[6a]Al)(NC[6a]H)(NC)	N(CNN)2	C(NC[6a]Al)(NC[6a]H)(NC)	C(NC[6a]Al)(NC[6a]H)(NC)	124.1710	0.000	1	124.1710	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Co)(NCC)(NC)	C(NCoSi)(NCC)(NC)	N(CNN)2	C(NC[6a]Co)(NCC)(NC)	C(NCoSi)(NCC)(NC)	126.9675	0.203	2	126.9675	0.041	2	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Cu)(NCC)(NC)	C(NCuH)(NCC)(NC)	N(CNN)2	C(NC[6a]Cu)(NCC)(NC)	C(NCuH)(NCC)(NC)	124.2070	0.000	1	124.2070	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Cu)(NCC)(NC)	C(NCuSi)(NCC)(NC)	N(CNN)2	C(NC[6a]Cu)(NCC)(NC)	C(NCuSi)(NCC)(NC)	125.7950	0.000	1	125.7950	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Fe)(NCC)(NC)	C(NFeSi)(NCC)(NC)	N(CNN)2	C(NC[6a]Fe)(NCC)(NC)	C(NFeSi)(NCC)(NC)	127.3125	0.073	2	127.3125	0.005	2	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NCC)(NHH)(NC)	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NCC)(NHH)(NC)	122.6880	0.000	1	122.6880	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NC[6a]H)(NHH)(NC)	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NC[6a]H)(NHH)(NC)	120.8740	0.000	1	120.8740	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NHH)2(NC)	N(CNN)2	C(NC[6a]H)(NHH)(NC)	C(NHH)2(NC)	122.4211	0.998	13	122.4211	0.995	13	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]H)(NNiH)(NC)	C(NC[6a]H)(NNiH)(NC)	N(CNN)2	C(NC[6a]H)(NNiH)(NC)	C(NC[6a]H)(NNiH)(NC)	118.5620	0.000	1	118.5620	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Mn)(NCC)(NC)	C(NMnSi)(NCC)(NC)	N(CNN)2	C(NC[6a]Mn)(NCC)(NC)	C(NMnSi)(NCC)(NC)	127.6005	0.333	2	127.6005	0.111	2	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NC[6a]Ni)(NCC)(NC)	C(NNiH)(NCC)(NC)	N(CNN)2	C(NC[6a]Ni)(NCC)(NC)	C(NNiH)(NCC)(NC)	118.8250	0.000	1	118.8250	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NCoSi)(NCC)(NC)	C(NCoSi)(NCC)(NC)	N(CNN)2	C(NCoSi)(NCC)(NC)	C(NCoSi)(NCC)(NC)	125.2860	0.000	1	125.2860	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NCuH)(NCC)(NC)	C(NCuH)(NHH)(NC)	N(CNN)2	C(NCuH)(NCC)(NC)	C(NCuH)(NHH)(NC)	120.7440	0.631	3	120.7440	0.398	3	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NCuH)(NHH)(NC)	C(NCuH)(NHH)(NC)	N(CNN)2	C(NCuH)(NHH)(NC)	C(NCuH)(NHH)(NC)	121.3280	0.000	1	121.3280	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NHH)2(NC)	C(NHH)2(NC)	N(CNN)2	C(NHH)2(NC)	C(NHH)2(NC)	122.9347	1.064	11	122.9347	1.133	11	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NIrH)(NCC)(NC)	C(NIrH)(NHH)(NC)	N(CNN)2	C(NIrH)(NCC)(NC)	C(NIrH)(NHH)(NC)	129.0470	0.000	1	129.0470	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NNiH)(NCC)(NC)	C(NNiH)(NHH)(NC)	N(CNN)2	C(NNiH)(NCC)(NC)	C(NNiH)(NHH)(NC)	118.4560	0.000	1	118.4560	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NNiH)(NHH)(NC)	C(NNiH)(NHH)(NC)	N(CNN)2	C(NNiH)(NHH)(NC)	C(NNiH)(NHH)(NC)	119.3165	0.781	2	119.3165	0.611	2	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:N-2:	N-3:N-3:N-2:	N(CNN)2	C(NPdH)(NHH)(NC)	C(NPdH)(NHH)(NC)	N(CNN)2	C(NPdH)(NHH)(NC)	C(NPdH)(NHH)(NC)	122.2670	0.000	1	122.2670	0.000	1	122.5981	5.836	62	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5]-3:C[6a]-3:N-2:	N-3:N-3:N-2:	N(CC[6a]N[5])(CNN)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	C(NCC)(NHH)(NC)	N(CC[6a]N[5])(CNN)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	C(NCC)(NHH)(NC)	121.1190	0.000	1	121.1190	0.000	1	121.1190	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5]-3:N-3:N-2:	N-3:N-3:N-2:	N(CN[5]N)(CNN)	C(N[5]C[5]N[5])(NHH)(NC)	C(NHH)2(NC)	N(CN[5]N)(CNN)	C(N[5]C[5]N[5])(NHH)(NC)	C(NHH)2(NC)	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(CN[5a]C)	C(N[5a]C[5a]2)(CClH)(NC)	C(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(CN[5a]C)	C(N[5a]C[5a]2)(CClH)(NC)	C(C[6a]C[6a]2)2(NC)	121.5085	0.021	2	121.5085	0.000	2	121.5085	0.000	2	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CN[5a]N)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	C(C[6a]C[6a]2)(NPtH)(NC)	N(CC[6a]N)(CN[5a]N)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	C(C[6a]C[6a]2)(NPtH)(NC)	121.7810	0.454	2	121.7810	0.206	2	121.7810	0.206	2	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	N-3:N-3:N-2:	N(CN[5a]N)(CNN)	C(N[5a]C[5a]N[5a])(NHH)(NC)	C(NHH)2(NC)	N(CN[5a]N)(CNN)	C(N[5a]C[5a]N[5a])(NHH)(NC)	C(NHH)2(NC)	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	N[5a]-3:N-3:N-2:	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NCuH)(NC)	C(N[5a]C[5a]N[5a])(NCuH)(NC)	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NCuH)(NC)	C(N[5a]C[5a]N[5a])(NCuH)(NC)	118.6260	0.000	1	118.6260	0.000	1	117.7692	0.330	4	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	N[5a]-3:N-3:N-2:	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NNiH)(NC)	C(N[5a]C[5a]N[5a])(NNiH)(NC)	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NNiH)(NC)	C(N[5a]C[5a]N[5a])(NNiH)(NC)	117.4837	0.077	3	117.4837	0.006	3	117.7692	0.330	4	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[6]-3:N-3:N-2:	N-3:N-3:N-2:	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NHH)(NC)	C(NHH)2(NC)	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NHH)(NC)	C(NHH)2(NC)	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	122.4742	6.366	97	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:4:2:	C-3:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)2	C(C[6a]C[6a]2)(CBrC)(NC)	C(C[6a]C[6a]2)(CFHH)(NC)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CBrC)(NC)	C(C[6a]C[6a]2)(CFHH)(NC)	129.6540	0.000	1	129.6540	0.000	1	127.2760	11.310	2	125.0300	20.788	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:4:2:	C-3:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C(C[6a]C[6a]2)(CH3)(NC)	124.8980	0.000	1	124.8980	0.000	1	127.2760	11.310	2	125.0300	20.788	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	3:4:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	N-3:C-4:N-2:	N(CN[5a]N)(CCN)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	C(NPtH)(CH3)(NC)	N(CN[5a]N)(CCN)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	C(NPtH)(CH3)(NC)	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	125.0300	20.788	3	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:N-2:	C[6]-4:N-2:H-1:	N(CC[6a]C)(CC[6]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C(C[6]C[6]2H)(NC)(H)	N(CC[6a]C)(CC[6]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C(C[6]C[6]2H)(NC)(H)	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	122.5550	0.230	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	N[5a]-3:N-3:N-2:	C-4:N-2:O-1:	N(CN[5a]N)(CCO)	C(N[5a]C[5a]N[5a])(NCH)(NC)	C(CF3)(NC)(O)	N(CN[5a]N)(CCO)	C(N[5a]C[5a]N[5a])(NCH)(NC)	C(CF3)(NC)(O)	122.8940	0.000	1	122.8940	0.000	1	122.8940	0.000	1	122.5550	0.230	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:2:2:	C-3:C-3:	C-3:C-3:N-2:	C-4:N-2:O-2:	N(CCC)(CCO)	C(CC[5a]H)(CC[6a]O)(NC)	C(CN[5a]HH)(NC)(OC)	N(CCC)(CCO)	C(CC[5a]H)(CC[6a]O)(NC)	C(CN[5a]HH)(NC)(OC)	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	120.2526	0.191	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C-4:N-2:N-2:	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NHH)(NC)	C(CCl3)(NC)(NH)	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NHH)(NC)	C(CCl3)(NC)(NH)	120.1144	0.180	8	120.1144	0.032	8	120.1358	0.046	10	120.2526	0.191	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:2:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C-4:N-2:N-2:	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NHH)(NC)	C(CF3)(NC)(NH)	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NHH)(NC)	C(CF3)(NC)(NH)	120.2215	0.407	2	120.2215	0.165	2	120.1358	0.046	10	120.2526	0.191	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C-3:N-3:N-2:	C-4:C-3:N-2:	N(CCC)(CCN)	C(CCH)(NCS)(NC)	C(CH3)(CCC)(NC)	N(CCC)(CCN)	C(CCH)(NCS)(NC)	C(CH3)(CCC)(NC)	125.2425	0.028	2	125.2425	0.001	2	125.2425	0.001	2	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C-3:N-3:N-2:	C-4:N-3:N-2:	N(CCN)2	C(CCN)(NCC)(NC)	C(CH3)(NCC)(NC)	N(CCN)2	C(CCN)(NCC)(NC)	C(CH3)(NCC)(NC)	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:C-3:N-2:	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C(CCHH)(CCH)(NC)	N(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(NC)	C(CCHH)(CCH)(NC)	121.3115	0.275	2	121.3115	0.076	2	121.3115	0.076	2	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C[6a]-3:C[6a]-3:N-2:	C-4:N-3:N-2:	N(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(NC)	C(CCHH)(NPtH)(NC)	N(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(NC)	C(CCHH)(NPtH)(NC)	126.1025	0.459	2	126.1025	0.211	2	126.1025	0.211	2	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C[6a]-3:N-3:N-2:	C-4:N-3:N-2:	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C(CCHH)(NPtH)(NC)	N(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a]Pt)(NC)	C(CCHH)(NPtH)(NC)	123.3100	0.000	1	123.3100	0.000	1	123.3100	0.000	1	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	N-3:N-3:N-2:	C-4:N-3:N-2:	N(CCN)(CNN)	C(NC[6a]Pt)(NC[6a]H)(NC)	C(CCHH)(NPtH)(NC)	N(CCN)(CNN)	C(NC[6a]Pt)(NC[6a]H)(NC)	C(CCHH)(NPtH)(NC)	123.4285	0.865	2	123.4285	0.748	2	123.4285	0.748	2	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	N[5a]-3:N-3:N-2:	C-4:N-3:N-2:	N(CN[5a]N)(CCN)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	C(CCHH)(NPtH)(NC)	N(CN[5a]N)(CCN)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	C(CCHH)(NPtH)(NC)	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	123.5429	3.656	11	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	2:2:1:	C-3:C-3:	N[5]-3:C-4:N-2:	N-2:O-2:O-1:	N(CN[5]C)(COO)	C(N[5]C[5]2)(CH3)(NC)	C(NC)(OC)(O)	N(CN[5]C)(COO)	C(N[5]C[5]2)(CH3)(NC)	C(NC)(OC)(O)	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	2:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-2:C-4:N-2:	N(CCN)2	C(NC[6a]H)(CCFF)(NC)	C(NC[6a])(CCFF)(NC)	N(CCN)2	C(NC[6a]H)(CCFF)(NC)	C(NC[6a])(CCFF)(NC)	130.1600	1.456	4	130.1600	2.121	4	130.7450	3.302	5	130.7450	3.302	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	2:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-2:C-4:N-2:	N(CCN)2	C(NC[6a]H)(CF3)(NC)	C(NC[6a])(CF3)(NC)	N(CCN)2	C(NC[6a]H)(CF3)(NC)	C(NC[6a])(CF3)(NC)	133.0850	0.000	1	133.0850	0.000	1	130.7450	3.302	5	130.7450	3.302	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:O-1:	N(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(NC)	C(C[6a]C[6a]2)(NC)(O)	N(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(NC)	C(C[6a]C[6a]2)(NC)(O)	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	125.4880	2.012	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:2:1:	C-3:C-3:	N-3:C-4:N-2:	C-3:N-2:H-1:	N(CCH)(CCN)	C(NC[6a]Ir)(CCHH)(NC)	C(CCH)(NC)(H)	N(CCH)(CCN)	C(NC[6a]Ir)(CCHH)(NC)	C(CCH)(NC)(H)	124.4850	0.000	1	124.4850	0.000	1	124.4850	0.000	1	125.4880	2.012	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NBeH)(CH3)(NC)	C(NBeH)(CH3)(NC)	N(CCN)2	C(NBeH)(CH3)(NC)	C(NBeH)(CH3)(NC)	118.6360	0.000	1	118.6360	0.000	1	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6]Zn)(CCFF)(NC)	C(NC[6]Zn)(CCFF)(NC)	N(CCN)2	C(NC[6]Zn)(CCFF)(NC)	C(NC[6]Zn)(CCFF)(NC)	121.8090	0.000	1	121.8090	0.000	1	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6a]Ag)(CCFF)(NC)	C(NC[6a]Ag)(CCFF)(NC)	N(CCN)2	C(NC[6a]Ag)(CCFF)(NC)	C(NC[6a]Ag)(CCFF)(NC)	126.4890	0.000	1	126.4890	0.000	1	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6a]Cu)(CCFF)(NC)	C(NC[6a]Cu)(CCFF)(NC)	N(CCN)2	C(NC[6a]Cu)(CCFF)(NC)	C(NC[6a]Cu)(CCFF)(NC)	125.4561	0.698	15	125.4561	0.487	15	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6a]Cu)(CF3)(NC)	C(NC[6a]Cu)(CF3)(NC)	N(CCN)2	C(NC[6a]Cu)(CF3)(NC)	C(NC[6a]Cu)(CF3)(NC)	124.4935	0.524	2	124.4935	0.275	2	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6a]Li)(CCFF)(NC)	C(NC[6a]Li)(CCFF)(NC)	N(CCN)2	C(NC[6a]Li)(CCFF)(NC)	C(NC[6a]Li)(CCFF)(NC)	123.3925	0.094	2	123.3925	0.009	2	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6a]Zn)(CCFF)(NC)	C(NC[6a]Zn)(CCFF)(NC)	N(CCN)2	C(NC[6a]Zn)(CCFF)(NC)	C(NC[6a]Zn)(CCFF)(NC)	124.9860	0.000	1	124.9860	0.000	1	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NC[6a]Zn)(CF3)(NC)	C(NC[6a]Zn)(CF3)(NC)	N(CCN)2	C(NC[6a]Zn)(CF3)(NC)	C(NC[6a]Zn)(CF3)(NC)	125.4610	0.000	1	125.4610	0.000	1	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:N-2:	N-3:C-4:N-2:	N(CCN)2	C(NNiH)(CH3)(NC)	C(NNiH)(CH3)(NC)	N(CCN)2	C(NNiH)(CH3)(NC)	C(NNiH)(CH3)(NC)	119.6490	0.526	3	119.6490	0.277	3	124.2200	5.348	27	124.2200	5.348	27	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-4:N-2:	C-4:N-2:O-1:	N(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(NC)	C(CH3)(NC)(O)	N(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(NC)	C(CH3)(NC)(O)	126.1785	1.402	2	126.1785	1.966	2	126.1785	1.966	2	126.1785	1.966	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	3:4:2:	4:2:2:	C-3:C-3:	N-3:C-4:N-2:	C-4:N-2:N-2:	N(CCN)2	C(NCuH)(CH3)(NC)	C(CH3)(NCu)(NC)	N(CCN)2	C(NCuH)(CH3)(NC)	C(CH3)(NCu)(NC)	128.0280	0.000	1	128.0280	0.000	1	128.0280	0.000	1	128.0280	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:1:	3:2:1:	C-3:C-3:	C-4:N-2:O-1:	N-3:N-2:S-1:	N(CCO)(CNS)	C(CCHH)(NC)(O)	C(NCC)(NC)(S)	N(CCO)(CNS)	C(CCHH)(NC)(O)	C(NCC)(NC)(S)	123.1510	0.000	1	123.1510	0.000	1	123.1510	0.000	1	121.9688	5.264	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:1:	3:2:1:	C-3:C-3:	C-4:N-2:S-1:	C-3:N-2:S-1:	N(CCS)2	C(CCHH)(NC)(S)	C(CCH)(NC)(S)	N(CCS)2	C(CCHH)(NC)(S)	C(CCH)(NC)(S)	118.5410	0.000	1	118.5410	0.000	1	118.5410	0.000	1	121.9688	5.264	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:1:	3:2:1:	C-3:C-3:	C[5]-4:N-2:Cl-1:	C[6a]-3:N-2:O-1:	N(CC[5]Cl)(CC[6a]O)	C(C[5]C[5]2C)(NC)(Cl)	C(C[6a]C[6a]2)(NC)(O)	N(CC[5]Cl)(CC[6a]O)	C(C[5]C[5]2C)(NC)(Cl)	C(C[6a]C[6a]2)(NC)(O)	123.0915	0.350	2	123.0915	0.123	2	123.0915	0.123	2	121.9688	5.264	4	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:1:	3:3:2:	C-3:C-3:	C-4:N-2:O-1:	N-3:N-3:N-2:	N(CCO)(CNN)	C(CH3)(NC)(O)	C(NCC)2(NC)	N(CCO)(CNN)	C(CH3)(NC)(O)	C(NCC)2(NC)	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	120.6468	0.991	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:1:	3:3:2:	C-3:C-3:	C[5]-4:N-2:O-1:	N-3:N-3:N-2:	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	C(NCH)(NHH)(NC)	121.3027	0.540	3	121.3027	0.291	3	120.9625	0.657	4	120.6468	0.991	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:1:	3:3:2:	C-3:C-3:	C[5]-4:N-2:O-1:	N-3:N-3:N-2:	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	C(NC[6a]H)(NHH)(NC)	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	C(NC[6a]H)(NHH)(NC)	119.9420	0.000	1	119.9420	0.000	1	120.9625	0.657	4	120.6468	0.991	5	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:2:2:	3:3:2:	C-3:C-3:	C[3]-4:N-2:N-2:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(CC[3]N)	C(C[3]C[3]2H)(NC[6a])(NC)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC[3]N)	C(C[3]C[3]2H)(NC[6a])(NC)	C(C[6a]C[6a]2)(NCH)(NC)	121.1460	0.953	2	121.1460	0.909	2	121.1460	0.909	2	121.1460	0.909	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:3:2:	2:2:2:	C-3:C-3:	C-4:N-3:N-2:	N-2:N-2:O-2:	N(CCN)(CNO)	C(CCHH)(NCC)(NC)	C(NC)2(OC)	N(CCN)(CNO)	C(CCHH)(NCC)(NC)	C(NC)2(OC)	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	C-4:N-3:N-2:	N-3:N-2:O-1:	N(CCN)(CNO)	C(CCHH)(NCC)(NC)	C(NCH)(NC)(O)	N(CCN)(CNO)	C(CCHH)(NCC)(NC)	C(NCH)(NC)(O)	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:3:2:	3:3:2:	C-3:C-3:	C-4:N-3:N-2:	N-3:N-3:N-2:	N(CCN)(CNN)	C(CCHH)(NPtH)(NC)	C(NCC)2(NC)	N(CCN)(CNN)	C(CCHH)(NPtH)(NC)	C(NCC)2(NC)	123.6780	0.000	1	123.6780	0.000	1	124.5445	1.502	2	124.5445	1.502	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:3:2:	3:3:2:	C-3:C-3:	C-4:N-3:N-2:	N-3:N-3:N-2:	N(CCN)(CNN)	C(CCHH)(NPtH)(NC)	C(NC[6a]C)2(NC)	N(CCN)(CNN)	C(CCHH)(NPtH)(NC)	C(NC[6a]C)2(NC)	125.4110	0.000	1	125.4110	0.000	1	124.5445	1.502	2	124.5445	1.502	2	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:3:2:	4:2:2:	C-3:C-3:	C-4:N-3:N-2:	C-4:N-2:O-2:	N(CCN)(CCO)	C(CCHH)(NPtH)(NC)	C(CCHH)(NC)(OC)	N(CCN)(CCO)	C(CCHH)(NPtH)(NC)	C(CCHH)(NC)(OC)	125.8220	0.000	1	125.8220	0.000	1	125.8220	0.000	1	125.8220	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:3:2:	4:3:2:	C-3:C-3:	C-4:N-3:N-2:	C-4:N-3:N-2:	N(CCN)2	C(CCl3)(NCuH)(NC)	C(CCl3)(NCuH)(NC)	N(CCN)2	C(CCl3)(NCuH)(NC)	C(CCl3)(NCuH)(NC)	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:4:2:	2:3:2:	C-3:C-3:	C-4:C-4:N-2:	N-2:C-3:N-2:	N(CCC)(CCN)	C(CC[6a]CH)(CH3)(NC)	C(NC[6a])(CCH)(NC)	N(CCC)(CCN)	C(CC[6a]CH)(CH3)(NC)	C(NC[6a])(CCH)(NC)	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:4:2:	3:2:1:	C-3:C-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(CCH)	C(CCCH)(CCHN)(NC)	C(CCC)(NC)(H)	N(CCC)(CCH)	C(CCCH)(CCHN)(NC)	C(CCC)(NC)(H)	127.2530	0.000	1	127.2530	0.000	1	127.2530	0.000	1	127.2530	0.000	1	123.3743	11.326	516	123.3743	11.326	516
941	930	930	0:SP2_SP2_SP2	N	C	C	3:3:	4:4:2:	3:2:2:	C-3:C-3:	C-4:C-4:N-2:	C-3:C-2:N-2:	N(CCC)2	C(CCCH)(CH3)(NC)	C(CCN)(CN)(NC)	N(CCC)2	C(CCCH)(CH3)(NC)	C(CCN)(CN)(NC)	120.3820	0.283	2	120.3820	0.080	2	120.3820	0.080	2	120.3820	0.080	2	123.3743	11.326	516	123.3743	11.326	516
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	2:2:1:	3:2:	N-2:C-3:	C-2:N-2:C-1:	C[6]-3:N-2:	N(NC[6])(CCC)	C(CC)(NN)(C)	N(C[6]C[6]2)(NC)	N(NC[6])(CCC)	C(CC)(NN)(C)	N(C[6]C[6]2)(NC)	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	2:2:2:	3:2:	N-2:C-3:	C-2:N-2:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCN)	C(CN)(NN)2	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCN)	C(CN)(NN)2	N(C[6a]C[6a]2)(NC)	114.0315	2.234	2	114.0315	4.990	2	114.0315	4.990	2	114.2572	1.119	6	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	2:2:2:	3:2:	N-2:C-3:	N-2:N-2:S-2:	C[6a]-3:N-2:	N(NC[6a])(CNS)	C(NN)2(SS)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CNS)	C(NN)2(SS)	N(C[6a]C[6a]2)(NC)	114.6940	0.088	2	114.6940	0.008	2	114.6940	0.008	2	114.2572	1.119	6	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	2:2:2:	3:2:	N-2:C-3:	S-2:N-2:N-2:	C[6a]-3:N-2:	N(NC[6a])(CNS)	C(SRu)(NN)2	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CNS)	C(SRu)(NN)2	N(C[6a]C[6a]2)(NC)	113.9370	0.000	1	113.9370	0.000	1	114.0460	0.024	2	114.2572	1.119	6	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	2:2:2:	3:2:	N-2:C-3:	S-2:N-2:N-2:	C[6a]-3:N-2:	N(NC[6a])(CNS)	C(SSn)(NN)2	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CNS)	C(SSn)(NN)2	N(C[6a]C[6a]2)(NC)	114.1550	0.000	1	114.1550	0.000	1	114.0460	0.024	2	114.2572	1.119	6	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	C-3:N-2:H-1:	C[6]-3:N-2:	N(NC[6])(CCH)	C(CCH)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)	N(NC[6])(CCH)	C(CCH)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)	112.3730	0.000	1	112.3730	0.000	1	113.5870	1.708	3	115.6634	14.585	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	C-3:N-2:H-1:	C[6]-3:N-2:	N(NC[6])(CCH)	C(CCH)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)	N(NC[6])(CCH)	C(CCH)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)	114.1940	1.097	2	114.1940	1.204	2	113.5870	1.708	3	115.6634	14.585	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:	N(NC[6a])(CCH)	C(CCH)(NN)(H)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCH)	C(CCH)(NN)(H)	N(C[6a]C[6a]2)(NC)	112.1760	0.000	1	112.1760	0.000	1	113.4175	3.083	2	115.6634	14.585	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:	N(NC[6a])(CCH)	C(CCN)(NN)(H)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCH)	C(CCN)(NN)(H)	N(C[6a]C[6a]2)(NC)	114.6590	0.000	1	114.6590	0.000	1	113.4175	3.083	2	115.6634	14.585	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	N-3:N-2:S-1:	C[5]-3:N-2:	N(NC[5])(CNS)	C(NC[6a]H)(NN)(S)	N(C[5]C[5,6a]C[5])(NC)	N(NC[5])(CNS)	C(NC[6a]H)(NN)(S)	N(C[5]C[5,6a]C[5])(NC)	121.5320	0.000	1	121.5320	0.000	1	121.0240	0.516	2	115.6634	14.585	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	N-3:N-2:S-1:	C[5]-3:N-2:	N(NC[5])(CNS)	C(NHH)(NN)(S)	N(C[5]C[5,6a]2)(NC)	N(NC[5])(CNS)	C(NHH)(NN)(S)	N(C[5]C[5,6a]2)(NC)	120.5160	0.000	1	120.5160	0.000	1	121.0240	0.516	2	115.6634	14.585	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:1:	4:2:	N-2:C-3:	N-3:N-2:O-1:	C[5]-4:N-2:	N(NC[5])(CNO)	C(NHH)(NN)(O)	N(C[5]C[5]O[5]C)(NC)	N(NC[5])(CNO)	C(NHH)(NN)(O)	N(C[5]C[5]O[5]C)(NC)	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:2:	3:2:	N-2:C-3:	C-3:C-2:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(COO)(CN)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(COO)(CN)(NN)	N(C[6a]C[6a]2)(NC)	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	113.8844	9.690	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:2:	3:2:	N-2:C-3:	N-3:N-2:N-2:	C[6a]-3:N-2:	N(NC[6a])(CNN)	C(NOO)(NN)2	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CNN)	C(NOO)(NN)2	N(C[6a]C[6a]2)(NC)	114.1718	0.503	4	114.1718	0.253	4	114.1718	0.253	4	113.8844	9.690	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:2:2:	3:2:	N-2:C-3:	N-3:N-2:S-2:	C[5]-3:N-2:	N(NC[5])(CNS)	C(NCH)(NN)(SS)	N(C[5]C[5,6a]C[5])(NC)	N(NC[5])(CNS)	C(NCH)(NN)(SS)	N(C[5]C[5,6a]C[5])(NC)	110.4785	1.336	2	110.4785	1.784	2	110.4785	1.784	2	113.8844	9.690	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CCH)2(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CCH)2(NN)	N(C[6a]C[6a]2)(NC)	115.1204	0.707	5	115.1204	0.500	5	116.9844	7.652	9	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CCN)(CCO)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CCN)(CCO)(NN)	N(C[6a]C[6a]2)(NC)	118.7310	0.000	1	118.7310	0.000	1	116.9844	7.652	9	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CCN)(COO)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CCN)(COO)(NN)	N(C[6a]C[6a]2)(NC)	119.9060	0.000	1	119.9060	0.000	1	116.9844	7.652	9	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CCO)(COO)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CCO)(COO)(NN)	N(C[6a]C[6a]2)(NC)	122.4280	0.000	1	122.4280	0.000	1	116.9844	7.652	9	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CC[6a]O)(CCO)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CC[6a]O)(CCO)(NN)	N(C[6a]C[6a]2)(NC)	116.1930	0.000	1	116.1930	0.000	1	116.9844	7.652	9	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	N-3:N-3:N-2:	C[5]-3:N-2:	N(NC[5])(CNN)	C(NCH)2(NN)	N(C[5]C[5,6a]2)(NC)	N(NC[5])(CNN)	C(NCH)2(NN)	N(C[5]C[5,6a]2)(NC)	109.0730	0.000	1	109.0730	0.000	1	108.9955	0.012	2	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:3:2:	3:2:	N-2:C-3:	N-3:N-3:N-2:	C[5]-3:N-2:	N(NC[5])(CNN)	C(NHH)2(NN)	N(C[5]C[5,6a]C[5])(NC)	N(NC[5])(CNN)	C(NHH)2(NN)	N(C[5]C[5,6a]C[5])(NC)	108.9180	0.000	1	108.9180	0.000	1	108.9955	0.012	2	115.5319	16.567	11	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	3:4:2:	3:2:	N-2:C-3:	C-3:C-4:N-2:	C[6]-3:N-2:	N(NC[6])(CCC)	C(CClC)(CH3)(NN)	N(C[6]C[6]2)(NC)	N(NC[6])(CCC)	C(CClC)(CH3)(NN)	N(C[6]C[6]2)(NC)	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:2:1:	3:2:	N-2:C-3:	C-4:N-2:H-1:	C[5]-3:N-2:	N(NC[5])(CCH)	C(CF3)(NN)(H)	N(C[5]N[5,6]N[5])(NC)	N(NC[5])(CCH)	C(CF3)(NN)(H)	N(C[5]N[5,6]N[5])(NC)	115.6240	0.607	2	115.6240	0.368	2	115.1550	0.844	3	115.1550	0.844	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:2:1:	3:2:	N-2:C-3:	C-4:N-2:H-1:	C[5]-3:N-2:	N(NC[5])(CCH)	C(CF3)(NN)(H)	N(C[5]N[5]2)(NC)	N(NC[5])(CCH)	C(CF3)(NN)(H)	N(C[5]N[5]2)(NC)	114.2170	0.000	1	114.2170	0.000	1	115.1550	0.844	3	115.1550	0.844	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:2:2:	3:2:	N-2:C-3:	C-4:O-2:N-2:	C[5]-3:N-2:	N(NC[5])(CCO)	C(CH3)(OSi)(NN)	N(C[5]C[5]2)(NC)	N(NC[5])(CCO)	C(CH3)(OSi)(NN)	N(C[5]C[5]2)(NC)	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:3:2:	3:2:	N-2:C-3:	C-4:C-3:N-2:	C[5]-3:N-2:	N(NC[5])(CCC)	C(CH3)(CCO)(NN)	N(C[5]S[5]2)(NC)	N(NC[5])(CCC)	C(CH3)(CCO)(NN)	N(C[5]S[5]2)(NC)	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	114.1575	2.670	2	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:3:2:	3:2:	N-2:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CH3)(CCC)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CH3)(CCC)(NN)	N(C[6a]C[6a]2)(NC)	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	114.1575	2.670	2	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:4:2:	3:2:	N-2:C-3:	C-4:C-4:N-2:	C[5]-3:N-2:	N(NC[5])(CCC)	C(CH3)2(NN)	N(C[5]N[5]S[5])(NC)	N(NC[5])(CCC)	C(CH3)2(NN)	N(C[5]N[5]S[5])(NC)	115.5910	0.000	1	115.5910	0.000	1	115.5910	0.000	1	115.5965	0.031	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:4:2:	3:2:	N-2:C-3:	C-4:C-4:N-2:	C[6]-3:N-2:	N(NC[6])(CCC)	C(CH3)2(NN)	N(C[6]C[6,6a]N[6])(NC)	N(NC[6])(CCC)	C(CH3)2(NN)	N(C[6]C[6,6a]N[6])(NC)	115.4270	0.000	1	115.4270	0.000	1	115.4785	0.005	2	115.5965	0.031	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:4:2:	3:2:	N-2:C-3:	C-4:C-4:N-2:	C[6]-3:N-2:	N(NC[6])(CCC)	C(CH3)2(NN)	N(C[6]N[6]2)(NC)	N(NC[6])(CCC)	C(CH3)2(NN)	N(C[6]N[6]2)(NC)	115.5300	0.000	1	115.5300	0.000	1	115.4785	0.005	2	115.5965	0.031	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	2:3:	4:4:2:	3:2:	N-2:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:	N(NC[6a])(CCC)	C(CCHH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)	N(NC[6a])(CCC)	C(CCHH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.5965	0.031	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:1:1:	4:2:	C-3:N-2:	N-2:H-1:H-1:	P-4:N-2:	N(CHH)(NP)	C(NN)(H)2	N(PC[6]Fe2)(NC)	N(CHH)(NP)	C(NN)(H)2	N(PC[6]Fe2)(NC)	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:1:	2:1:	C-3:N-2:	N-2:N-2:O-1:	N-2:N-1:	N(CNO)(NN)	C(NN)2(O)	N(NC)(N)	N(CNO)(NN)	C(NN)2(O)	N(NC)(N)	111.6023	0.929	3	111.6023	0.863	3	111.6023	0.863	3	111.6023	0.863	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	N-2:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NC)(NN)(S)	N(CC[5a]C)(NC)	N(CNS)(NC)	C(NC)(NN)(S)	N(CC[5a]C)(NC)	117.5170	0.000	1	117.5170	0.000	1	118.3725	1.464	2	116.4313	16.089	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	N-2:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NC[6a])(NN)(S)	N(CC[6a]2)(NC)	N(CNS)(NC)	C(NC[6a])(NN)(S)	N(CC[6a]2)(NC)	119.2280	0.000	1	119.2280	0.000	1	118.3725	1.464	2	116.4313	16.089	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	N-2:O-2:O-1:	C-3:N-2:	N(COO)(NC)	C(NN)(OC)(O)	N(CC[6a]C)(NC)	N(COO)(NC)	C(NN)(OC)(O)	N(CC[6a]C)(NC)	118.4730	0.000	1	118.4730	0.000	1	114.4900	31.729	2	116.4313	16.089	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	N-2:O-2:O-1:	C-3:N-2:	N(COO)(NC)	C(NN)(OC)(O)	N(CNO)(NC)	N(COO)(NC)	C(NN)(OC)(O)	N(CNO)(NC)	110.5070	0.000	1	110.5070	0.000	1	114.4900	31.729	2	116.4313	16.089	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:N-2:N-2:	C-3:N-2:	N(CNN)(NC)	C(NH)2(NN)	N(CCC)(NC)	N(CNN)(NC)	C(NH)2(NN)	N(CCC)(NC)	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:S-2:S-2:	C-3:N-2:	N(CSS)(NC)	C(NN)(SC)(SS)	N(CC[6a]C)(NC)	N(CSS)(NC)	C(NN)(SC)(SS)	N(CC[6a]C)(NC)	112.7175	0.515	2	112.7175	0.266	2	112.4136	1.872	8	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:S-2:S-2:	C-3:N-2:	N(CSS)(NC)	C(NN)(SC)(SS)	N(CC[6a]H)(NC)	N(CSS)(NC)	C(NN)(SC)(SS)	N(CC[6a]H)(NC)	112.0310	0.001	2	112.0310	0.000	2	112.4136	1.872	8	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:S-2:S-2:	C-3:N-2:	N(CSS)(NC)	C(NN)(SC)2	N(CC[6a]H)(NC)	N(CSS)(NC)	C(NN)(SC)2	N(CC[6a]H)(NC)	112.1070	0.000	1	112.1070	0.000	1	112.4136	1.872	8	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:S-2:S-2:	C-3:N-2:	N(CSS)(NC)	C(NN)(SC)2	N(CC[6a]N)(NC)	N(CSS)(NC)	C(NN)(SC)2	N(CC[6a]N)(NC)	110.6930	0.000	1	110.6930	0.000	1	112.4136	1.872	8	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:S-2:S-2:	C-3:N-2:	N(CSS)(NC)	C(NN)(SC)2	N(CC[6a]O)(NC)	N(CSS)(NC)	C(NN)(SC)2	N(CC[6a]O)(NC)	115.3660	0.000	1	115.3660	0.000	1	112.4136	1.872	8	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	N-2:S-2:S-2:	C-3:N-2:	N(CSS)(NC)	C(NN)(SC)2	N(CSS)(NC)	N(CSS)(NC)	C(NN)(SC)2	N(CSS)(NC)	111.6460	0.000	1	111.6460	0.000	1	112.4136	1.872	8	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:2:2:	3:2:	C-3:N-2:	S-2:N-2:N-2:	C-3:N-2:	N(CNS)(NC)	C(SCu)(NC)(NN)	N(CC[5a]C)(NC)	N(CNS)(NC)	C(SCu)(NC)(NN)	N(CC[5a]C)(NC)	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	113.3847	6.016	10	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:3:2:	2:1:	C-3:N-2:	C-2:C-3:N-2:	N-2:N-1:	N(CCC)(NN)	C(CN[6])(CCC)(NN)	N(NC)(N)	N(CCC)(NN)	C(CN[6])(CCC)(NN)	N(NC)(N)	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:4:2:	3:2:	C-3:N-2:	O-2:C-4:N-2:	C-3:N-2:	N(CCO)(NC)	C(OSi[5,6])(CH3)(NN)	N(CC[6a]H)(NC)	N(CCO)(NC)	C(OSi[5,6])(CH3)(NN)	N(CC[6a]H)(NC)	107.1580	0.276	2	107.1580	0.076	2	107.1223	0.042	3	107.1223	0.042	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	2:4:2:	3:2:	C-3:N-2:	O-2:C-4:N-2:	C-3:N-2:	N(CCO)(NC)	C(OSi[5])(CH3)(NN)	N(CCC)(NC)	N(CCO)(NC)	C(OSi[5])(CH3)(NN)	N(CCC)(NC)	107.0510	0.000	1	107.0510	0.000	1	107.1223	0.042	3	107.1223	0.042	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	C-3:N-2:H-1:	N-2:N-1:	N(CCH)(NN)	C(CCC)(NN)(H)	N(NC)(N)	N(CCH)(NN)	C(CCC)(NN)(H)	N(NC)(N)	116.9700	0.509	2	116.9700	0.259	2	116.9700	0.259	2	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	C[5a]-3:N-2:O-1:	N-2:N-1:	N(CC[5a]O)(NN)	C(C[5a]C[5a]N[5a])(NN)(O)	N(NC)(N)	N(CC[5a]O)(NN)	C(C[5a]C[5a]N[5a])(NN)(O)	N(NC)(N)	113.3285	0.231	2	113.3285	0.053	2	113.1517	0.121	3	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	C[5a]-3:N-2:O-1:	N-2:N-1:	N(CC[5a]O)(NN)	C(C[5a]C[5a]S[5a])(NN)(O)	N(NC)(N)	N(CC[5a]O)(NN)	C(C[5a]C[5a]S[5a])(NN)(O)	N(NC)(N)	112.7980	0.000	1	112.7980	0.000	1	113.1517	0.121	3	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	C[6a]-3:N-2:O-1:	N-2:H-1:	N(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NN)(O)	N(NC)(H)	N(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NN)(O)	N(NC)(H)	120.2610	0.000	1	120.2610	0.000	1	120.2610	0.000	1	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	N-3:N-2:O-1:	N-2:N-1:	N(CNO)(NN)	C(NCH)(NN)(O)	N(NC)(N)	N(CNO)(NN)	C(NCH)(NN)(O)	N(NC)(N)	112.5010	0.000	1	112.5010	0.000	1	111.2380	1.226	6	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	N-3:N-2:O-1:	N-2:N-1:	N(CNO)(NN)	C(NC[4,5]H)(NN)(O)	N(NC)(N)	N(CNO)(NN)	C(NC[4,5]H)(NN)(O)	N(NC)(N)	112.0300	0.000	1	112.0300	0.000	1	111.2380	1.226	6	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	N-3:N-2:O-1:	N-2:N-1:	N(CNO)(NN)	C(NC[6a]H)(NN)(O)	N(NC)(N)	N(CNO)(NN)	C(NC[6a]H)(NN)(O)	N(NC)(N)	110.8287	1.167	3	110.8287	1.361	3	111.2380	1.226	6	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	N-3:N-2:O-1:	N-2:N-1:	N(CNO)(NN)	C(NHN)(NN)(O)	N(NC)(N)	N(CNO)(NN)	C(NHN)(NN)(O)	N(NC)(N)	110.4110	0.000	1	110.4110	0.000	1	111.2380	1.226	6	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	2:1:	C-3:N-2:	N[6]-3:N-2:O-1:	N-2:N-1:	N(CN[6]O)(NN)	C(N[6]C[5,6]2)(NN)(O)	N(NC)(N)	N(CN[6]O)(NN)	C(N[6]C[5,6]2)(NN)(O)	N(NC)(N)	110.5118	0.707	4	110.5118	0.500	4	110.5118	0.500	4	112.6957	8.957	16	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C-3:N-2:H-1:	C-3:N-2:	N(CCH)(NC)	C(CCH)(NN)(H)	N(CCH)(NC)	N(CCH)(NC)	C(CCH)(NN)(H)	N(CCH)(NC)	111.9213	0.144	3	111.9213	0.021	3	111.9213	0.021	3	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C-3:N-2:H-1:	N-3:N-2:	N(CCH)(NN)	C(CCH)(NN)(H)	N(NCC)(NC)	N(CCH)(NN)	C(CCH)(NN)(H)	N(NCC)(NC)	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5]-3:N-2:H-1:	C-3:N-2:	N(CC[5]H)(NC)	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NC)	N(CC[5]H)(NC)	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NC)	112.5636	1.222	5	112.5636	1.494	5	112.5636	1.494	5	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5]-3:N-2:H-1:	C[6a]-3:N-2:	N(CC[5]H)(NC[6a])	C(C[5]C[5]N[5])(NN)(H)	N(C[6a]C[6a]2)(NC)	N(CC[5]H)(NC[6a])	C(C[5]C[5]N[5])(NN)(H)	N(C[6a]C[6a]2)(NC)	113.6820	0.696	2	113.6820	0.484	2	113.6820	0.484	2	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC)	111.9170	0.066	2	111.9170	0.004	2	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[6a]2)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[6a]2)(NC)	110.0810	0.000	1	110.0810	0.000	1	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[6a]C)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[6a]C)(NC)	111.7606	0.615	7	111.7606	0.378	7	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNN)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNN)(NC)	112.4160	0.000	1	112.4160	0.000	1	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC)	111.8977	1.511	15	111.8977	2.282	15	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC)	111.2770	0.000	1	111.2770	0.000	1	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC)	111.8713	0.590	8	111.8713	0.348	8	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[6a]H)(NC)	N(CC[5a]H)(NC)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[6a]H)(NC)	112.1410	0.236	3	112.1410	0.056	3	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NC)	N(CC[5a]H)(NC)	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NC)	111.3690	0.000	1	111.3690	0.000	1	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C-3:N-2:	N(CC[5a]H)(NC)	C(C[5a]N[5a]2)(NN)(H)	N(CNN)(NC)	N(CC[5a]H)(NC)	C(C[5a]N[5a]2)(NN)(H)	N(CNN)(NC)	116.7380	0.000	1	116.7380	0.000	1	111.9474	1.658	40	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:H-1:	C[5]-3:N-2:	N(CC[5a]H)(NC[5])	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[5]C[5,6a]S[5])(NC)	N(CC[5a]H)(NC[5])	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[5]C[5,6a]S[5])(NC)	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:O-1:	C-3:N-2:	N(CC[5a]O)(NC)	C(C[5a]C[5a]S[5a])(NN)(O)	N(CC[6a]H)(NC)	N(CC[5a]O)(NC)	C(C[5a]C[5a]S[5a])(NN)(O)	N(CC[6a]H)(NC)	121.9140	1.482	2	121.9140	2.197	2	121.9140	2.197	2	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:O-1:	C[6]-3:N-2:	N(CC[5a]O)(NC[6])	C(C[5a]C[5a]N[5a])(NN)(O)	N(C[6]C[6]2)(NC)	N(CC[5a]O)(NC[6])	C(C[5a]C[5a]N[5a])(NN)(O)	N(C[6]C[6]2)(NC)	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[5a]-3:N-2:O-1:	C[6a]-3:N-2:	N(CC[5a]O)(NC[6a])	C(C[5a]C[5a]N[5a])(NN)(O)	N(C[6a]C[6a]2)(NC)	N(CC[5a]O)(NC[6a])	C(C[5a]C[5a]N[5a])(NN)(O)	N(C[6a]C[6a]2)(NC)	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6]-3:N-2:H-1:	C-3:N-2:	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	N(CC[6]H)(NC)	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	N(CC[6]H)(NC)	111.1122	0.344	6	111.1122	0.118	6	111.1366	0.163	10	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6]-3:N-2:H-1:	C-3:N-2:	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	N(CC[6a]H)(NC)	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	N(CC[6a]H)(NC)	111.1732	0.537	4	111.1732	0.289	4	111.1366	0.163	10	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6]-3:N-2:O-1:	C-3:N-2:	N(CC[6]O)(NC)	C(C[6]C[6]2)(NN)(O)	N(CC[6a]H)(NC)	N(CC[6]O)(NC)	C(C[6]C[6]2)(NN)(O)	N(CC[6a]H)(NC)	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:Cl-1:	C-3:N-2:	N(CC[6a]Cl)(NC)	C(C[6a]C[6a]2)(NN)(Cl)	N(CC[6a]Cl)(NC)	N(CC[6a]Cl)(NC)	C(C[6a]C[6a]2)(NN)(Cl)	N(CC[6a]Cl)(NC)	117.2045	0.903	2	117.2045	0.815	2	117.2045	0.815	2	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[5a]H)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[5a]H)(NC)	112.8683	1.455	3	112.8683	2.117	3	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NC)	113.7320	4.541	3	113.7320	20.620	3	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[5a]O)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[5a]O)(NC)	115.1670	0.000	1	115.1670	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]C)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]C)(NC)	112.1220	0.284	2	112.1220	0.081	2	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC)	114.5195	1.527	6	114.5195	2.331	6	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CCC)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CCC)(NC)	113.5010	0.000	1	113.5010	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)	117.3285	2.064	6	117.3285	4.261	6	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5]C)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5]C)(NC)	113.9598	0.445	5	113.9598	0.198	5	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5a]O)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5a]O)(NC)	115.9260	0.099	2	115.9260	0.010	2	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]H)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]H)(NC)	111.6377	0.493	4	111.6377	0.243	4	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]O)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]O)(NC)	116.4675	3.021	2	116.4675	9.129	2	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]2)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]2)(NC)	113.8790	0.000	1	113.8790	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]C)(NC)	112.5303	1.169	18	112.5303	1.366	18	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC)	112.3496	1.083	132	112.3496	1.172	132	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(NC)	117.4856	1.200	5	117.4856	1.439	5	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CNN)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CNN)(NC)	115.6385	1.631	2	115.6385	2.661	2	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CNO)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CNO)(NC)	115.7320	0.000	1	115.7320	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CNS)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CNS)(NC)	114.6226	0.951	5	114.6226	0.905	5	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CN[5a]N)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CN[5a]N)(NC)	111.5380	0.000	1	111.5380	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CSS)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]2)(NN)(H)	N(CSS)(NC)	113.4183	0.816	3	113.4183	0.666	3	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CCN)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CCN)(NC)	112.6780	0.000	1	112.6780	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[5]C)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[5]C)(NC)	113.0388	1.068	4	113.0388	1.141	4	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]2)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]2)(NC)	111.0485	0.169	2	111.0485	0.029	2	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]C)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]C)(NC)	113.5904	0.397	8	113.5904	0.157	8	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC)	111.9608	0.582	6	111.9608	0.339	6	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]O)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]O)(NC)	116.1060	0.000	1	116.1060	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C-3:N-2:	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CNS)(NC)	N(CC[6a]H)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CNS)(NC)	114.0650	0.000	1	114.0650	0.000	1	112.9710	3.107	226	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[5]-3:N-2:	N(CC[6a]H)(NC[5])	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[5]N[5]S[5])(NC)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[5]N[5]S[5])(NC)	113.7460	0.000	1	113.7460	0.000	1	113.4672	3.268	12	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[5]-3:N-2:	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	N(C[5]C[5,6a]2)(NC)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	N(C[5]C[5,6a]2)(NC)	111.6000	0.558	3	111.6000	0.311	3	113.4672	3.268	12	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[5]-3:N-2:	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	N(C[5]C[5,6a]S[5])(NC)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	N(C[5]C[5,6a]S[5])(NC)	113.6810	0.000	2	113.6810	0.000	2	113.4672	3.268	12	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[5]-3:N-2:	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	N(C[5]N[5]S[5])(NC)	N(CC[6a]H)(NC[5])	C(C[6a]C[6a]2)(NN)(H)	N(C[5]N[5]S[5])(NC)	114.2830	2.035	6	114.2830	4.140	6	113.4672	3.268	12	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:	N(CC[6a]H)(NC[6])	C(C[6a]C[6a,6a]2)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a,6a]2)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)	111.9940	0.000	1	111.9940	0.000	1	112.4262	1.853	36	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:	N(CC[6a]H)(NC[6])	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[6]C[5a,6]N[6])(NC)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[6]C[5a,6]N[6])(NC)	112.6910	0.000	1	112.6910	0.000	1	112.4262	1.853	36	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)	111.7780	0.955	21	111.7780	0.912	21	112.4262	1.853	36	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)	112.8226	0.981	8	112.8226	0.962	8	112.4262	1.853	36	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6]2)(NC)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6]2)(NC)	113.9510	0.000	1	113.9510	0.000	1	112.4262	1.853	36	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]N[6]S[6])(NC)	N(CC[6a]H)(NC[6])	C(C[6a]C[6a]2)(NN)(H)	N(C[6]N[6]S[6])(NC)	114.6975	1.482	4	114.6975	2.196	4	112.4262	1.853	36	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:	N(CC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)	N(CC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)	117.3125	0.354	2	117.3125	0.126	2	117.3125	0.126	2	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C-3:N-2:	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]2)(NC)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]2)(NC)	116.4800	0.000	1	116.4800	0.000	1	118.7407	2.912	9	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C-3:N-2:	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]C)(NC)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]C)(NC)	116.1140	0.000	1	116.1140	0.000	1	118.7407	2.912	9	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C-3:N-2:	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]H)(NC)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CC[6a]H)(NC)	119.8730	1.266	4	119.8730	1.604	4	118.7407	2.912	9	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C-3:N-2:	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CSS)(NC)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	N(CSS)(NC)	119.7740	0.000	1	119.7740	0.000	1	118.7407	2.912	9	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C-3:N-2:	N(CC[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NN)(O)	N(CC[6a]H)(NC)	N(CC[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NN)(O)	N(CC[6a]H)(NC)	118.4030	0.229	2	118.4030	0.052	2	118.7407	2.912	9	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C[4]-3:N-2:	N(CC[6a]O)(NC[4])	C(C[6a]C[6a]2)(NN)(O)	N(C[4]C[4]2)(NC)	N(CC[6a]O)(NC[4])	C(C[6a]C[6a]2)(NN)(O)	N(C[4]C[4]2)(NC)	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	C[6a]-3:N-2:	N(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(NN)(O)	N(C[6a]C[6a]2)(NC)	N(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(NN)(O)	N(C[6a]C[6a]2)(NC)	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:H-1:	C-3:N-2:	N(CHN)(NC)	C(NCC)(NN)(H)	N(CHN)(NC)	N(CHN)(NC)	C(NCC)(NN)(H)	N(CHN)(NC)	110.9537	0.369	3	110.9537	0.136	3	111.0083	0.103	4	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:H-1:	C-3:N-2:	N(CHN)(NC)	C(NC[5a]H)(NN)(H)	N(CC[5a]N)(NC)	N(CHN)(NC)	C(NC[5a]H)(NN)(H)	N(CC[5a]N)(NC)	111.1720	0.000	1	111.1720	0.000	1	111.0083	0.103	4	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:O-1:	C-3:N-2:	N(CNO)(NC)	C(NCC)(NN)(O)	N(COO)(NC)	N(CNO)(NC)	C(NCC)(NN)(O)	N(COO)(NC)	111.9120	0.000	1	111.9120	0.000	1	114.7080	16.322	3	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:O-1:	C-3:N-2:	N(CNO)(NC)	C(NCH)(NN)(O)	N(CNO)(NC)	N(CNO)(NC)	C(NCH)(NN)(O)	N(CNO)(NC)	112.8720	0.000	1	112.8720	0.000	1	114.7080	16.322	3	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:O-1:	C-3:N-2:	N(CNO)(NC)	C(NHN)(NN)(O)	N(CC[6a]H)(NC)	N(CNO)(NC)	C(NHN)(NN)(O)	N(CC[6a]H)(NC)	119.3400	0.000	1	119.3400	0.000	1	114.7080	16.322	3	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NCH)(NN)(S)	N(CC[6a]C)(NC)	N(CNS)(NC)	C(NCH)(NN)(S)	N(CC[6a]C)(NC)	118.3170	0.000	1	118.3170	0.000	1	119.2782	2.423	6	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NCH)(NN)(S)	N(CC[6a]H)(NC)	N(CNS)(NC)	C(NCH)(NN)(S)	N(CC[6a]H)(NC)	120.8910	0.000	1	120.8910	0.000	1	119.2782	2.423	6	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NHH)(NN)(S)	N(CC[5]C)(NC)	N(CNS)(NC)	C(NHH)(NN)(S)	N(CC[5]C)(NC)	119.3290	1.560	2	119.3290	2.433	2	119.2782	2.423	6	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NHH)(NN)(S)	N(CC[6a]C)(NC)	N(CNS)(NC)	C(NHH)(NN)(S)	N(CC[6a]C)(NC)	117.1890	0.000	1	117.1890	0.000	1	119.2782	2.423	6	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:N-2:S-1:	C-3:N-2:	N(CNS)(NC)	C(NHH)(NN)(S)	N(CC[6a]H)(NC)	N(CNS)(NC)	C(NHH)(NN)(S)	N(CC[6a]H)(NC)	120.6140	0.000	1	120.6140	0.000	1	119.2782	2.423	6	113.1539	5.499	369	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C-3:N-2:H-1:	C-4:N-2:	N(CCH)(NC)	C(COO)(NN)(H)	N(CFeCC)(NC)	N(CCH)(NC)	C(COO)(NN)(H)	N(CFeCC)(NC)	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	116.3186	7.335	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C-3:N-2:H-1:	P-4:N-2:	N(CCH)(NP)	C(COO)(NN)(H)	N(PC3)(NC)	N(CCH)(NP)	C(COO)(NN)(H)	N(PC3)(NC)	115.7790	0.000	1	115.7790	0.000	1	115.2415	1.474	4	116.3186	7.335	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C-3:N-2:H-1:	P-4:N-2:	N(CCH)(NP)	C(COO)(NN)(H)	N(PC[6]3)(NC)	N(CCH)(NP)	C(COO)(NN)(H)	N(PC[6]3)(NC)	116.6290	0.000	1	116.6290	0.000	1	115.2415	1.474	4	116.3186	7.335	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C-3:N-2:H-1:	P-4:N-2:	N(CCH)(NP)	C(COO)(NN)(H)	N(PC[6a]3)(NC)	N(CCH)(NP)	C(COO)(NN)(H)	N(PC[6a]3)(NC)	114.2790	0.595	2	114.2790	0.354	2	115.2415	1.474	4	116.3186	7.335	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C-3:N-2:O-1:	C-4:N-2:	N(CCO)(NC)	C(CCN)(NN)(O)	N(CC[6a]HH)(NC)	N(CCO)(NC)	C(CCN)(NN)(O)	N(CC[6a]HH)(NC)	118.8370	0.000	1	118.8370	0.000	1	118.8370	0.000	1	116.3186	7.335	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C[6a]-3:N-2:O-1:	S-4:N-2:	N(CC[6a]O)(NS)	C(C[6a]C[6a]2)(NN)(O)	N(SC[6a]OO)(NC)	N(CC[6a]O)(NS)	C(C[6a]C[6a]2)(NN)(O)	N(SC[6a]OO)(NC)	120.8880	0.000	1	120.8880	0.000	1	120.8880	0.000	1	116.3186	7.335	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	2:1:	C-3:N-2:	C-3:N-2:N-2:	N-2:N-1:	N(CCN)(NN)	C(CNN)(NN)2	N(NC)(N)	N(CCN)(NN)	C(CNN)(NN)2	N(NC)(N)	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	116.1011	11.886	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	2:1:	C-3:N-2:	N-3:N-2:N-2:	N-2:H-1:	N(CNN)(NH)	C(NHH)(NH)(NN)	N(NC)(H)	N(CNN)(NH)	C(NHH)(NH)(NN)	N(NC)(H)	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	116.1011	11.886	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	2:1:	C-3:N-2:	N-3:N-2:N-2:	N-2:N-1:	N(CNN)(NN)	C(NHH)(NH)(NN)	N(NC)(N)	N(CNN)(NN)	C(NHH)(NH)(NN)	N(NC)(N)	117.8650	0.000	1	117.8650	0.000	1	114.4888	3.638	5	116.1011	11.886	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	2:1:	C-3:N-2:	N-3:N-2:N-2:	N-2:N-1:	N(CNN)(NN)	C(NHH)(NN)(NS)	N(NC)(N)	N(CNN)(NN)	C(NHH)(NN)(NS)	N(NC)(N)	113.6580	0.212	2	113.6580	0.045	2	114.4888	3.638	5	116.1011	11.886	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	2:1:	C-3:N-2:	N-3:N-2:N-2:	N-2:N-1:	N(CNN)(NN)	C(NHH)(NN)2	N(NC)(N)	N(CNN)(NN)	C(NHH)(NN)2	N(NC)(N)	113.6315	0.507	2	113.6315	0.257	2	114.4888	3.638	5	116.1011	11.886	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	C[5a]-3:N-2:O-2:	C-3:N-2:	N(CC[5a]O)(NC)	C(C[5a]C[5a]O[5a])(NN)(OH)	N(CC[6a]H)(NC)	N(CC[5a]O)(NC)	C(C[5a]C[5a]O[5a])(NN)(OH)	N(CC[6a]H)(NC)	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	C[6a]-3:N-2:N-2:	C[6a]-3:N-2:	N(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(NN)2	N(C[6a]C[6a]2)(NC)	N(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(NN)2	N(C[6a]C[6a]2)(NC)	118.9222	1.231	6	118.9222	1.515	6	118.9222	1.515	6	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-2:	C[5]-3:N-2:	N(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(NN)(OC)	N(C[5]S[5]2)(NC)	N(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(NN)(OC)	N(C[5]S[5]2)(NC)	115.3465	0.769	2	115.3465	0.591	2	115.3465	0.591	2	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:N-2:N-2:	C-3:N-2:	N(CNN)(NC)	C(NCH)(NH)(NN)	N(CC[5a]H)(NC)	N(CNN)(NC)	C(NCH)(NH)(NN)	N(CC[5a]H)(NC)	111.0490	0.000	1	111.0490	0.000	1	116.0127	12.577	4	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:N-2:N-2:	C-3:N-2:	N(CNN)(NC)	C(NHH)(NH)(NN)	N(CCC)(NC)	N(CNN)(NC)	C(NHH)(NH)(NN)	N(CCC)(NC)	118.4900	0.000	1	118.4900	0.000	1	116.0127	12.577	4	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:N-2:N-2:	C-3:N-2:	N(CNN)(NC)	C(NHN)(NN)2	N(CC[6a]H)(NC)	N(CNN)(NC)	C(NHN)(NN)2	N(CC[6a]H)(NC)	117.2560	1.966	2	117.2560	3.864	2	116.0127	12.577	4	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:N-2:S-2:	C-3:N-2:	N(CNS)(NC)	C(NCH)(NN)(SC)	N(CC[6a]H)(NC)	N(CNS)(NC)	C(NCH)(NN)(SC)	N(CC[6a]H)(NC)	111.7860	0.000	1	111.7860	0.000	1	111.5247	1.072	4	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:N-2:S-2:	C-3:N-2:	N(CNS)(NC)	C(NHH)(NN)(SC)	N(CC[6a]H)(NC)	N(CNS)(NC)	C(NHH)(NN)(SC)	N(CC[6a]H)(NC)	111.4377	1.250	3	111.4377	1.563	3	111.5247	1.072	4	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:S-2:N-2:	C-3:N-2:	N(CNS)(NC)	C(NC[6a]H)(SIn[5])(NN)	N(CC[6]C)(NC)	N(CNS)(NC)	C(NC[6a]H)(SIn[5])(NN)	N(CC[6]C)(NC)	113.7750	0.000	1	113.7750	0.000	1	115.2333	1.981	3	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	N-3:S-2:N-2:	C-3:N-2:	N(CNS)(NC)	C(NC[6a]H)(SPt)(NN)	N(CC[5a]C)(NC)	N(CNS)(NC)	C(NC[6a]H)(SPt)(NN)	N(CC[5a]C)(NC)	115.9625	0.879	2	115.9625	0.773	2	115.2333	1.981	3	115.8931	10.000	20	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	2:1:	C-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N-2:N-1:	N(CC[5a]2)(NN)	C(C[5a]C[5a]N[5a])2(NN)	N(NC)(N)	N(CC[5a]2)(NN)	C(C[5a]C[5a]N[5a])2(NN)	N(NC)(N)	120.6757	3.719	4	120.6757	13.834	4	120.6757	13.834	4	118.6609	14.624	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	2:1:	C-3:N-2:	C[5a]-3:N-3:N-2:	N-2:H-1:	N(CC[5a]N)(NH)	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(NC)(H)	N(CC[5a]N)(NH)	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(NC)(H)	114.6870	0.000	1	114.6870	0.000	1	114.6870	0.000	1	118.6609	14.624	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	2:1:	C-3:N-2:	C[6a]-3:C-3:N-2:	N-2:N-1:	N(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CCH)(NN)	N(NC)(N)	N(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CCH)(NN)	N(NC)(N)	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.6609	14.624	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	2:1:	C-3:N-2:	N-3:N-3:N-2:	N-2:N-1:	N(CNN)(NN)	C(NHH)2(NN)	N(NC)(N)	N(CNN)(NN)	C(NHH)2(NN)	N(NC)(N)	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	118.6609	14.624	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5]-3:C-3:N-2:	C[6a]-3:N-2:	N(CC[5]C)(NC[6a])	C(C[5]S[5]2)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[5]C)(NC[6a])	C(C[5]S[5]2)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]C[5])(NC)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	N(CC[6a]C[5])(NC)	N(CC[6a]C[5])(NC)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	N(CC[6a]C[5])(NC)	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5]-3:N-3:N-2:	C[6a]-3:N-2:	N(CC[5]N)(NC[6a])	C(C[5]N[5]2)(NOO)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[5]N)(NC[6a])	C(C[5]N[5]2)(NOO)(NN)	N(C[6a]C[6a]2)(NC)	119.0580	5.206	2	119.0580	27.100	2	118.0590	16.544	3	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5]-3:N-3:N-2:	C[6a]-3:N-2:	N(CC[5]N)(NC[6a])	C(C[5]N[5]S[5])(NOO)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[5]N)(NC[6a])	C(C[5]N[5]S[5])(NOO)(NN)	N(C[6a]C[6a]2)(NC)	116.0610	0.000	1	116.0610	0.000	1	118.0590	16.544	3	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(CC[5a]2)(NC[6a])	C(C[5a]C[5a]N[5a])2(NN)	N(C[6a]C[6a]2)(NC)	N(CC[5a]2)(NC[6a])	C(C[5a]C[5a]N[5a])2(NN)	N(C[6a]C[6a]2)(NC)	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5a]-3:N-3:N-2:	C-3:N-2:	N(CC[5a]N)(NC)	C(C[5a]C[5a]2)(NHH)(NN)	N(CHN)(NC)	N(CC[5a]N)(NC)	C(C[5a]C[5a]2)(NHH)(NN)	N(CHN)(NC)	114.2180	0.000	1	114.2180	0.000	1	111.6180	13.520	2	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5a]-3:N-3:N-2:	C-3:N-2:	N(CC[5a]N)(NC)	C(C[5a]C[5a]N[5a])(NCH)(NN)	N(CC[6a]C)(NC)	N(CC[5a]N)(NC)	C(C[5a]C[5a]N[5a])(NCH)(NN)	N(CC[6a]C)(NC)	109.0180	0.000	1	109.0180	0.000	1	111.6180	13.520	2	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5a]-3:N-3:N-2:	C[6a]-3:N-2:	N(CC[5a]N)(NC[6a])	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[5a]N)(NC[6a])	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(C[6a]C[6a]2)(NC)	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6]-3:N-3:N-2:	C-3:N-2:	N(CC[6]N)(NC)	C(C[6]C[6]N[6])(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6]N)(NC)	C(C[6]C[6]N[6])(NHH)(NN)	N(CC[6a]N)(NC)	110.0285	0.284	2	110.0285	0.080	2	110.0285	0.080	2	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCH)(NN)	N(CNN)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCH)(NN)	N(CNN)(NC)	116.0740	0.000	1	116.0740	0.000	1	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCO)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCO)(NN)	N(CC[6a]C)(NC)	119.5600	0.000	1	119.5600	0.000	1	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[5]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[5]H)(NC)	112.0730	0.109	2	112.0730	0.012	2	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[5a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[5a]C)(NC)	113.1800	0.434	2	113.1800	0.188	2	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[5a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[5a]H)(NC)	111.4775	0.409	2	111.4775	0.168	2	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NC)	113.1065	0.799	6	113.1065	0.639	6	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]H)(NC)	111.9888	1.038	18	111.9888	1.077	18	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[5a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[5a]C)(NC)	111.4830	0.000	1	111.4830	0.000	1	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[5a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[5a]H)(NC)	111.1840	0.769	3	111.1840	0.591	3	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[6a]C)(NC)	111.6223	0.584	3	111.6223	0.342	3	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[6a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(CC[6a]H)(NC)	111.7364	1.086	5	111.7364	1.180	5	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHN)(NN)	N(CC[6a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHN)(NN)	N(CC[6a]H)(NC)	114.5393	0.254	3	114.5393	0.064	3	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(COO)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(COO)(NN)	N(CC[6a]C)(NC)	111.6070	0.000	1	111.6070	0.000	1	112.4446	2.682	48	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CCl2)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CCl2)(NN)	N(C[6a]C[6a]2)(NC)	114.3897	1.257	13	114.3897	1.579	13	114.3897	1.579	13	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CCC)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CCC)(NC)	116.8395	2.228	15	116.8395	4.962	15	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[5a]H)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[5a]H)(NC)	115.5230	0.000	1	115.5230	0.000	1	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]2)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]2)(NC)	114.4093	1.007	7	114.4093	1.015	7	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]H)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]H)(NC)	114.1047	0.807	3	114.1047	0.651	3	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]O)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]O)(NC)	120.1250	0.000	1	120.1250	0.000	1	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CNS)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CNS)(NC)	120.2880	0.000	1	120.2880	0.000	1	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])2(NN)	N(CC[6a]2)(NC)	N(CC[6a]2)(NC)	C(C[6a]C[6a]N[6a])2(NN)	N(CC[6a]2)(NC)	120.2010	0.000	1	120.2010	0.000	1	116.2727	5.966	29	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(CC[6a]2)(NC[5])	C(C[6a]C[6a]2)2(NN)	N(C[5]C[5,6a]2)(NC)	N(CC[6a]2)(NC[5])	C(C[6a]C[6a]2)2(NN)	N(C[5]C[5,6a]2)(NC)	115.9460	0.000	1	115.9460	0.000	1	115.9460	0.000	1	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(CC[6a]2)(NC[6a])	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6a]2)(NC[6a])	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]2)(NC)	115.5510	0.294	2	115.5510	0.087	2	115.5510	0.087	2	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:N-3:N-2:	C-3:N-2:	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6]N)(NC)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6]N)(NC)	113.5450	0.361	2	113.5450	0.130	2	112.3530	1.256	9	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:N-3:N-2:	C-3:N-2:	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]C)(NC)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]C)(NC)	110.5630	0.000	1	110.5630	0.000	1	112.3530	1.256	9	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:N-3:N-2:	C-3:N-2:	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC)	112.2073	0.985	4	112.2073	0.970	4	112.3530	1.256	9	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:N-3:N-2:	C-3:N-2:	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CSS)(NC)	N(CC[6a]N)(NC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CSS)(NC)	113.0110	0.000	1	113.0110	0.000	1	112.3530	1.256	9	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:N-3:N-2:	C-3:N-2:	N(CC[6a]N)(NC)	C(C[6a]N[6a]2)(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6a]N)(NC)	C(C[6a]N[6a]2)(NHH)(NN)	N(CC[6a]N)(NC)	111.6840	0.000	1	111.6840	0.000	1	112.3530	1.256	9	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	N-3:N-3:N-2:	C-3:N-2:	N(CNN)(NC)	C(NC[6]H)2(NN)	N(CNN)(NC)	N(CNN)(NC)	C(NC[6]H)2(NN)	N(CNN)(NC)	111.4550	0.000	1	111.4550	0.000	1	110.8270	0.369	4	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	N-3:N-3:N-2:	C-3:N-2:	N(CNN)(NC)	C(NHH)2(NN)	N(CC[5a]H)(NC)	N(CNN)(NC)	C(NHH)2(NN)	N(CC[5a]H)(NC)	110.4390	0.000	1	110.4390	0.000	1	110.8270	0.369	4	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	N-3:N-3:N-2:	C-3:N-2:	N(CNN)(NC)	C(NHH)2(NN)	N(CC[6a]C)(NC)	N(CNN)(NC)	C(NHH)2(NN)	N(CC[6a]C)(NC)	110.7070	0.730	2	110.7070	0.533	2	110.8270	0.369	4	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	N[5a]-3:N-3:N-2:	C-3:N-2:	N(CN[5a]N)(NC)	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	N(CC[6a]H)(NC)	N(CN[5a]N)(NC)	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	N(CC[6a]H)(NC)	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	113.7844	7.177	118	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:3:2:	4:2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:	S-4:N-2:	N(CC[6a]2)(NS)	C(C[6a]C[6a]2)2(NN)	N(SC[6a]OO)(NC)	N(CC[6a]2)(NS)	C(C[6a]C[6a]2)2(NN)	N(SC[6a]OO)(NC)	116.1373	0.253	3	116.1373	0.064	3	116.1373	0.064	3	116.1373	0.064	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C-3:N-2:	N(CC[5a]C)(NC)	C(C[5a]C[5a,6a]C[5a])(CH3)(NN)	N(CC[6a]C)(NC)	N(CC[5a]C)(NC)	C(C[5a]C[5a,6a]C[5a])(CH3)(NN)	N(CC[6a]C)(NC)	114.1033	0.464	3	114.1033	0.215	3	115.7957	4.795	10	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C-3:N-2:	N(CC[5a]C)(NC)	C(C[5a]C[5a]O[5a])(CH3)(NN)	N(CC[5a]C)(NC)	N(CC[5a]C)(NC)	C(C[5a]C[5a]O[5a])(CH3)(NN)	N(CC[5a]C)(NC)	117.0540	0.000	1	117.0540	0.000	1	115.7957	4.795	10	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C-3:N-2:	N(CC[5a]C)(NC)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CNS)(NC)	N(CC[5a]C)(NC)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CNS)(NC)	118.1460	0.000	1	118.1460	0.000	1	115.7957	4.795	10	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C-3:N-2:	N(CC[5a]C)(NC)	C(C[5a]N[5a]2)(CH3)(NN)	N(CC[5a]C)(NC)	N(CC[5a]C)(NC)	C(C[5a]N[5a]2)(CH3)(NN)	N(CC[5a]C)(NC)	113.3730	0.576	2	113.3730	0.331	2	115.7957	4.795	10	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C-3:N-2:	N(CC[5a]C)(NC)	C(C[5a]N[5a]2)(CH3)(NN)	N(CNS)(NC)	N(CC[5a]C)(NC)	C(C[5a]N[5a]2)(CH3)(NN)	N(CNS)(NC)	117.9003	0.913	3	117.9003	0.834	3	115.7957	4.795	10	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C[5a]-3:N-2:	N(CC[5a]C)(NC[5a])	C(C[5a]C[5a,6a]C[5a])(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)	N(CC[5a]C)(NC[5a])	C(C[5a]C[5a,6a]C[5a])(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)	114.5095	1.158	2	114.5095	1.340	2	114.5095	1.340	2	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[5a]-3:C-4:N-2:	C[6]-3:N-2:	N(CC[5a]C)(NC[6])	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(C[6]C[6,6a]N[6])(NC)	N(CC[5a]C)(NC[6])	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(C[6]C[6,6a]N[6])(NC)	114.7655	0.329	2	114.7655	0.108	2	114.7655	0.108	2	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6]-3:C-4:N-2:	C-3:N-2:	N(CC[6]C)(NC)	C(C[6]C[6]2)(CH3)(NN)	N(CC[6a]C)(NC)	N(CC[6]C)(NC)	C(C[6]C[6]2)(CH3)(NN)	N(CC[6a]C)(NC)	112.6180	0.000	1	112.6180	0.000	1	114.4040	6.380	2	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6]-3:C-4:N-2:	C-3:N-2:	N(CC[6]C)(NC)	C(C[6]N[5,6]C[6])(CH3)(NN)	N(CNS)(NC)	N(CC[6]C)(NC)	C(C[6]N[5,6]C[6])(CH3)(NN)	N(CNS)(NC)	116.1900	0.000	1	116.1900	0.000	1	114.4040	6.380	2	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6]-3:C-4:N-2:	C[5]-3:N-2:	N(CC[6]C)(NC[5])	C(C[6]C[6]N[6])(CH3)(NN)	N(C[5]N[5]S[5])(NC)	N(CC[6]C)(NC[5])	C(C[6]C[6]N[6])(CH3)(NN)	N(C[5]N[5]S[5])(NC)	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCCH)(NN)	N(CCC)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCCH)(NN)	N(CCC)(NC)	121.4030	0.000	1	121.4030	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCCS)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCCS)(NN)	N(CC[6a]C)(NC)	120.3140	0.809	2	120.3140	0.654	2	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CC[6a]C)(NC)	117.5127	2.058	10	117.5127	4.234	10	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(CC[6a]C)(NC)	116.0970	0.000	1	116.0970	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[5a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[5a]H)(NC)	114.6775	0.221	2	114.6775	0.049	2	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6]C)(NC)	115.6250	0.000	1	115.6250	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]C)(NC)	115.2735	1.390	32	115.2735	1.931	32	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]H)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]H)(NC)	115.8460	1.401	2	115.8460	1.964	2	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]O)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]O)(NC)	117.1480	0.000	1	117.1480	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNN)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNN)(NC)	116.4340	0.000	1	116.4340	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNS)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNS)(NC)	119.2585	0.216	2	119.2585	0.047	2	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(COO)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(COO)(NC)	117.3760	0.000	1	117.3760	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CSS)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CH3)(NN)	N(CSS)(NC)	115.0985	0.356	2	115.0985	0.127	2	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHHS)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHHS)(NN)	N(CC[6a]C)(NC)	120.6005	0.173	2	120.6005	0.030	2	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CCHH)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CCHH)(NN)	N(CC[6a]C)(NC)	112.6600	0.000	1	112.6600	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CCN)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CCN)(NC)	114.1870	0.000	1	114.1870	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[5a]N)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[5a]N)(NC)	117.0680	0.000	1	117.0680	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[6a]C)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[6a]C)(NC)	115.4849	1.240	22	115.4849	1.537	22	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C-3:N-2:	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[6a]N)(NC)	N(CC[6a]C)(NC)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[6a]N)(NC)	115.4830	0.000	1	115.4830	0.000	1	116.0421	3.919	86	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C[5]-3:N-2:	N(CC[6a]C)(NC[5])	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5]N[5]S[5])(NC)	N(CC[6a]C)(NC[5])	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5]N[5]S[5])(NC)	113.9720	0.102	2	113.9720	0.010	2	113.9720	0.010	2	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C[5a]-3:N-2:	N(CC[6a]C)(NC[5a])	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)	N(CC[6a]C)(NC[5a])	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)	115.4578	1.983	4	115.4578	3.933	4	115.4578	3.933	4	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C[6]-3:N-2:	N(CC[6a]C)(NC[6])	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6]C[6,6a]C[6])(NC)	N(CC[6a]C)(NC[6])	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6]C[6,6a]C[6])(NC)	115.1448	1.380	4	115.1448	1.903	4	115.3454	1.151	7	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C[6]-3:N-2:	N(CC[6a]C)(NC[6])	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[6]C[5a,6]N[6])(NC)	N(CC[6a]C)(NC[6])	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[6]C[5a,6]N[6])(NC)	115.6130	0.640	3	115.6130	0.410	3	115.3454	1.151	7	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CC[5]HH)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CC[5]HH)(NN)	N(C[6a]C[6a]2)(NC)	117.7020	0.000	1	117.7020	0.000	1	117.7560	0.002	3	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CC[6]HH)(NN)	N(C[6a]C[6a]2)(NC)	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CC[6]HH)(NN)	N(C[6a]C[6a]2)(NC)	117.7830	0.000	2	117.7830	0.000	2	117.7560	0.002	3	115.8957	3.698	119	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	3:4:2:	4:2:	C-3:N-2:	C[6a]-3:P-4:N-2:	S-4:N-2:	N(CC[6a]P)(NS)	C(C[6a]C[6a]2)(PO3)(NN)	N(SC[6a]OO)(NC)	N(CC[6a]P)(NS)	C(C[6a]C[6a]2)(PO3)(NN)	N(SC[6a]OO)(NC)	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	2:1:	C-3:N-2:	C-4:N-2:O-1:	N-2:H-1:	N(CCO)(NH)	C(CCHN)(NN)(O)	N(NC)(H)	N(CCO)(NH)	C(CCHN)(NN)(O)	N(NC)(H)	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	113.7284	16.587	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	2:1:	C-3:N-2:	C-4:N-2:O-1:	N-2:N-1:	N(CCO)(NN)	C(CCHH)(NN)(O)	N(NC)(N)	N(CCO)(NN)	C(CCHH)(NN)(O)	N(NC)(N)	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	113.7284	16.587	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	2:1:	C-3:N-2:	C[3]-4:N-2:O-1:	N-2:N-1:	N(CC[3]O)(NN)	C(C[3]C[3]N[3]H)(NN)(O)	N(NC)(N)	N(CC[3]O)(NN)	C(C[3]C[3]N[3]H)(NN)(O)	N(NC)(N)	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	113.7284	16.587	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	2:1:	C-3:N-2:	C[5]-4:N-2:O-1:	N-2:N-1:	N(CC[5]O)(NN)	C(C[5]C[5]2Fe)(NN)(O)	N(NC)(N)	N(CC[5]O)(NN)	C(C[5]C[5]2Fe)(NN)(O)	N(NC)(N)	112.5627	0.708	4	112.5627	0.502	4	112.5627	0.502	4	113.7284	16.587	7	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:N-2:O-1:	C-3:N-2:	N(CCO)(NC)	C(CCHH)(NN)(O)	N(CC[6a]H)(NC)	N(CCO)(NC)	C(CCHH)(NN)(O)	N(CC[6a]H)(NC)	121.6850	0.000	1	121.6850	0.000	1	119.7947	2.307	4	115.8473	19.895	9	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:N-2:O-1:	C-3:N-2:	N(CCO)(NC)	C(CC[6a]CH)(NN)(O)	N(CC[6a]H)(NC)	N(CCO)(NC)	C(CC[6a]CH)(NN)(O)	N(CC[6a]H)(NC)	120.3620	0.000	1	120.3620	0.000	1	119.7947	2.307	4	115.8473	19.895	9	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:N-2:O-1:	C-3:N-2:	N(CCO)(NC)	C(CHHN)(NN)(O)	N(CC[6a]H)(NC)	N(CCO)(NC)	C(CHHN)(NN)(O)	N(CC[6a]H)(NC)	118.5660	0.081	2	118.5660	0.006	2	119.7947	2.307	4	115.8473	19.895	9	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C[5]-4:N-2:H-1:	C-3:N-2:	N(CC[5]H)(NC)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NC)	N(CC[5]H)(NC)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NC)	110.6985	0.421	2	110.6985	0.177	2	111.3037	0.550	4	115.8473	19.895	9	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C[5]-4:N-2:H-1:	C-3:N-2:	N(CC[5]H)(NC)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[6a]C)(NC)	N(CC[5]H)(NC)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[6a]C)(NC)	111.9090	0.082	2	111.9090	0.007	2	111.3037	0.550	4	115.8473	19.895	9	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C[6]-4:N-2:O-1:	C-3:N-2:	N(CC[6]O)(NC)	C(C[6]C[6]2H)(NN)(O)	N(CC[6a]H)(NC)	N(CC[6]O)(NC)	C(C[6]C[6]2H)(NN)(O)	N(CC[6a]H)(NC)	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	115.8473	19.895	9	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	4:2:	C-3:N-2:	C[5,6]-4:N-2:H-1:	S-4:N-2:	N(CC[5,6]H)(NS)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(SC[6a]OO)(NC)	N(CC[5,6]H)(NS)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(SC[6a]OO)(NC)	115.0560	0.041	2	115.0560	0.002	2	115.0560	0.002	2	115.0080	1.001	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	4:2:	C-3:N-2:	C[6]-4:N-2:H-1:	S-4:N-2:	N(CC[6]H)(NS)	C(C[6]C[6]2P)(NN)(H)	N(SC[6a]OO)(NC)	N(CC[6]H)(NS)	C(C[6]C[6]2P)(NN)(H)	N(SC[6a]OO)(NC)	113.7370	0.000	1	113.7370	0.000	1	114.9600	2.991	2	115.0080	1.001	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:1:	4:2:	C-3:N-2:	C[6]-4:N-2:H-1:	S-4:N-2:	N(CC[6]H)(NS)	C(C[6]C[6]O[6]H)(NN)(H)	N(SC[6a]OO)(NC)	N(CC[6]H)(NS)	C(C[6]C[6]O[6]H)(NN)(H)	N(SC[6a]OO)(NC)	116.1830	0.000	1	116.1830	0.000	1	114.9600	2.991	2	115.0080	1.001	4	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:2:	3:2:	C-3:N-2:	C-4:N-2:N-2:	C-3:N-2:	N(CCN)(NC)	C(CClNN)(NCl)(NN)	N(CCN)(NC)	N(CCN)(NC)	C(CClNN)(NCl)(NN)	N(CCN)(NC)	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	109.6640	9.227	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:2:	3:2:	C-3:N-2:	C-4:O-2:N-2:	C-3:N-2:	N(CCO)(NC)	C(CH3)(OSi)(NN)	N(CCC)(NC)	N(CCO)(NC)	C(CH3)(OSi)(NN)	N(CCC)(NC)	107.9105	0.067	2	107.9105	0.005	2	107.9105	0.005	2	109.6640	9.227	3	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:2:2:	4:2:	C-3:N-2:	C-4:N-2:N-2:	C-4:N-2:	N(CCN)(NC)	C(CClNN)(NCl)(NN)	N(CCl2C)(NC)	N(CCN)(NC)	C(CClNN)(NCl)(NN)	N(CCl2C)(NC)	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	2:1:	C-3:N-2:	C[5]-4:C-3:N-2:	N-2:H-1:	N(CC[5]C)(NH)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	N(NC)(H)	N(CC[5]C)(NH)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	N(NC)(H)	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	N(CCC)(NC)	C(CCHH)(CCN)(NN)	N(CNN)(NC)	N(CCC)(NC)	C(CCHH)(CCN)(NN)	N(CNN)(NC)	116.6540	0.000	1	116.6540	0.000	1	115.2943	1.951	19	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CCC)(NC)	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CCC)(NC)	114.3827	1.013	3	114.3827	1.026	3	115.2943	1.951	19	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CC[6a]2)(NC)	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CC[6a]2)(NC)	115.3748	1.370	13	115.3748	1.878	13	115.2943	1.951	19	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CC[6a]H)(NC)	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CC[6a]H)(NC)	113.7190	0.000	1	113.7190	0.000	1	115.2943	1.951	19	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CNN)(NC)	N(CCC)(NC)	C(CH3)(CCN)(NN)	N(CNN)(NC)	117.1990	0.000	1	117.1990	0.000	1	115.2943	1.951	19	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:N-3:N-2:	C-3:N-2:	N(CCN)(NC)	C(CC[5a]HH)(NC[6a]H)(NN)	N(CC[6a]C)(NC)	N(CCN)(NC)	C(CC[5a]HH)(NC[6a]H)(NN)	N(CC[6a]C)(NC)	111.9550	0.000	1	111.9550	0.000	1	112.4430	0.476	2	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:N-3:N-2:	C-3:N-2:	N(CCN)(NC)	C(CC[5a]HH)(NC[6a]H)(NN)	N(CC[6a]H)(NC)	N(CCN)(NC)	C(CC[5a]HH)(NC[6a]H)(NN)	N(CC[6a]H)(NC)	112.9310	0.000	1	112.9310	0.000	1	112.4430	0.476	2	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	S-4:N-3:N-2:	C-3:N-2:	N(CNS)(NC)	C(SO3)(NHH)(NN)	N(CNS)(NC)	N(CNS)(NC)	C(SO3)(NHH)(NN)	N(CNS)(NC)	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	114.8525	3.034	22	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:3:2:	4:2:	C-3:N-2:	C-4:C-3:N-2:	C-4:N-2:	N(CCC)(NC)	C(CC[6a]HO)(CC[6a]H)(NN)	N(CC[6a]CH)(NC)	N(CCC)(NC)	C(CC[6a]HO)(CC[6a]H)(NN)	N(CC[6a]CH)(NC)	123.7170	0.000	1	123.7170	0.000	1	123.7170	0.000	1	123.7170	0.000	1	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	3:2:	C-3:N-2:	C-4:C-4:N-2:	C-3:N-2:	N(CCC)(NC)	C(CC[6a]CH)(CH3)(NN)	N(CC[6a]C)(NC)	N(CCC)(NC)	C(CC[6a]CH)(CH3)(NN)	N(CC[6a]C)(NC)	121.0410	0.000	1	121.0410	0.000	1	117.3375	14.731	6	115.1909	8.259	19	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	3:2:	C-3:N-2:	C-4:C-4:N-2:	C-3:N-2:	N(CCC)(NC)	C(CC[6a]HH)(CH3)(NN)	N(CC[6a]2)(NC)	N(CCC)(NC)	C(CC[6a]HH)(CH3)(NN)	N(CC[6a]2)(NC)	120.5570	0.228	2	120.5570	0.052	2	117.3375	14.731	6	115.1909	8.259	19	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	3:2:	C-3:N-2:	C-4:C-4:N-2:	C-3:N-2:	N(CCC)(NC)	C(CH3)2(NN)	N(CCO)(NC)	N(CCC)(NC)	C(CH3)2(NN)	N(CCO)(NC)	113.9567	1.560	3	113.9567	2.432	3	117.3375	14.731	6	115.1909	8.259	19	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	3:2:	C-3:N-2:	C[5]-4:C-4:N-2:	C-3:N-2:	N(CC[5]C)(NC)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CC[6a]H)(NC)	N(CC[5]C)(NC)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CC[6a]H)(NC)	113.4840	0.756	10	113.4840	0.571	10	114.1718	3.134	12	115.1909	8.259	19	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	3:2:	C-3:N-2:	C[5]-4:C-4:N-2:	C-3:N-2:	N(CC[5]C)(NC)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CNS)(NC)	N(CC[5]C)(NC)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CNS)(NC)	117.6110	0.973	2	117.6110	0.947	2	114.1718	3.134	12	115.1909	8.259	19	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	3:2:	C-3:N-2:	C[6]-4:C-4:N-2:	C[5a]-3:N-2:	N(CC[6]C)(NC[5a])	C(C[6]C[6]2H)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)	N(CC[6]C)(NC[5a])	C(C[6]C[6]2H)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	115.1909	8.259	19	114.0787	8.034	802	114.0787	8.034	802
941	930	941	0:SP2_SP2_SP2	N	C	N	3:2:	4:4:2:	4:2:	C-3:N-2:	C-4:C-4:N-2:	P-4:N-2:	N(CCC)(NP)	C(CC3)2(NN)	N(PC[6a]3)(NC)	N(CCC)(NP)	C(CC3)2(NN)	N(PC[6a]3)(NC)	119.4440	0.042	2	119.4440	0.002	2	119.4440	0.002	2	119.4440	0.002	2	114.0787	8.034	802	114.0787	8.034	802