930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:1:1:	3:	N-2:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NC[6a])(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NC[6a])(NHH)(S)	N(CNS)(H)2	S(CNN)	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:2:1:	3:	N-2:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NC[6a])(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NC[6a])(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:1:	3:	N-2:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[5])(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[5])(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	124.7280	0.000	1	124.7280	0.000	1	120.8390	3.948	6	120.8390	3.948	6	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:1:	3:	N-2:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a])(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6a])(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	120.3395	0.115	4	120.3395	0.013	4	120.8390	3.948	6	120.8390	3.948	6	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:1:	3:	N-2:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a])(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	C(NC[6a])(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	118.9480	0.000	1	118.9480	0.000	1	120.8390	3.948	6	120.8390	3.948	6	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:3:1:	3:	N-2:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6])(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NC[6])(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	121.1360	0.000	1	121.1360	0.000	1	121.1360	0.000	1	122.6670	4.688	2	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:3:1:	3:	S-2:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(SC[5])(NCH)(S)	N(CC[6a]HH)(CSS)(H)	S(CNS)	C(SC[5])(NCH)(S)	N(CC[6a]HH)(CSS)(H)	S(CNS)	124.1980	0.000	1	124.1980	0.000	1	124.1980	0.000	1	122.6670	4.688	2	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:4:3:	3:	O-2:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(OC[6a])(NCC)(S)	N(CH3)2(COS)	S(CNO)	C(OC[6a])(NCC)(S)	N(CH3)2(COS)	S(CNO)	126.6067	0.901	23	126.6067	0.812	23	126.6067	0.812	23	126.3728	1.242	26	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:4:3:	3:	S-2:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(SC[6])(NCC)(S)	N(CCHH)2(CSS)	S(CNS)	C(SC[6])(NCC)(S)	N(CCHH)2(CSS)	S(CNS)	123.9070	0.000	1	123.9070	0.000	1	124.5793	1.134	3	126.3728	1.242	26	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:4:3:	3:	S-2:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(SC[6])(NCC)(S)	N(CH3)2(CSS)	S(CNS)	C(SC[6])(NCC)(S)	N(CH3)2(CSS)	S(CNS)	124.0240	0.000	1	124.0240	0.000	1	124.5793	1.134	3	126.3728	1.242	26	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:4:3:	3:	S-2:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(SC[6a])(NCC)(S)	N(CCCH)2(CSS)	S(CNS)	C(SC[6a])(NCC)(S)	N(CCCH)2(CSS)	S(CNS)	125.8070	0.000	1	125.8070	0.000	1	124.5793	1.134	3	126.3728	1.242	26	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	3:3:1:	3:	N-3:H-1:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(H)(S)	N(C[6a]C[6a]2)(CHS)(H)	S(CHN)	C(NC[6a]H)(H)(S)	N(C[6a]C[6a]2)(CHS)(H)	S(CHN)	126.3766	1.776	5	126.3766	3.155	5	126.3766	3.155	5	126.3766	3.155	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	3:3:3:	3:	N-3:S-1:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(NC[6a]2)(S)2	N(C[6a]C[6a]N[6a])2(CSS)	S(CNS)	C(NC[6a]2)(S)2	N(C[6a]C[6a]N[6a])2(CSS)	S(CNS)	117.8410	0.427	2	117.8410	0.182	2	117.8410	0.182	2	117.8410	0.182	2	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:3:1:	3:	N-3:H-1:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(H)(S)	N(CC[6a]HH)(CHS)(H)	S(CHN)	C(NCH)(H)(S)	N(CC[6a]HH)(CHS)(H)	S(CHN)	126.7580	0.000	1	126.7580	0.000	1	126.7580	0.000	1	121.5700	21.586	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:3:1:	3:	N-3:S-1:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(S)2	N(CCHH)(CSS)(H)	S(CNS)	C(NCH)(S)2	N(CCHH)(CSS)(H)	S(CNS)	118.9760	1.673	2	118.9760	2.799	2	118.9760	2.799	2	121.5700	21.586	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:3:3:	3:	N-3:Cl-1:S-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(NC[6a]C[5])(Cl)(S)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CClS)	S(CClN)	C(NC[6a]C[5])(Cl)(S)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CClS)	S(CClN)	129.2030	0.000	1	129.2030	0.000	1	129.2030	0.000	1	122.0707	38.713	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:3:3:	3:	N-3:S-1:S-1:	C-4:C-3:C-3:	C-3:	C(NCC)(S)2	N(CCCH)(CNN)(CSS)	S(CNS)	C(NCC)(S)2	N(CCCH)(CNN)(CSS)	S(CNS)	118.5045	1.059	2	118.5045	1.121	2	118.5045	1.121	2	122.0707	38.713	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:H-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(H)(S)	N(CH3)2(CHS)	S(CHN)	C(NCC)(H)(S)	N(CH3)2(CHS)	S(CHN)	127.6770	0.000	1	127.6770	0.000	1	127.6770	0.000	1	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CCCH)2(CSS)	S(CNS)	C(NCC)(S)2	N(CCCH)2(CSS)	S(CNS)	120.9405	0.972	2	120.9405	0.945	2	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CCHH)(CH3)(CSS)	S(CNS)	C(NCC)(S)2	N(CCHH)(CH3)(CSS)	S(CNS)	119.8660	0.607	2	119.8660	0.368	2	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CCHH)2(CSS)	S(CNS)	C(NCC)(S)2	N(CCHH)2(CSS)	S(CNS)	119.7719	0.847	8	119.7719	0.717	8	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CC[6a]HH)(CCHH)(CSS)	S(CNS)	C(NCC)(S)2	N(CC[6a]HH)(CCHH)(CSS)	S(CNS)	119.6898	1.806	4	119.6898	3.262	4	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CC[6a]HH)(CC[5]HH)(CSS)	S(CNS)	C(NCC)(S)2	N(CC[6a]HH)(CC[5]HH)(CSS)	S(CNS)	120.2475	0.210	2	120.2475	0.044	2	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CC[6a]HH)(CH3)(CSS)	S(CNS)	C(NCC)(S)2	N(CC[6a]HH)(CH3)(CSS)	S(CNS)	119.9644	1.473	8	119.9644	2.171	8	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:1:1:	4:4:3:	3:	N-3:S-1:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(S)2	N(CC[6a]HH)2(CSS)	S(CNS)	C(NCC)(S)2	N(CC[6a]HH)2(CSS)	S(CNS)	120.2510	0.870	5	120.2510	0.757	5	120.0004	1.248	31	120.2403	3.049	32	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	2:3:1:	3:	N-3:S-2:S-1:	N-2:C-3:H-1:	C-3:	C(NHN)(SC)(S)	N(NC[5])(CSS)(H)	S(CNS)	C(NHN)(SC)(S)	N(NC[5])(CSS)(H)	S(CNS)	119.6990	0.000	1	119.6990	0.000	1	120.4885	0.971	4	120.4885	0.971	4	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	2:3:1:	3:	N-3:S-2:S-1:	N-2:C-3:H-1:	C-3:	C(NHN)(SC)(S)	N(NC[6])(CSS)(H)	S(CNS)	C(NHN)(SC)(S)	N(NC[6])(CSS)(H)	S(CNS)	120.7517	1.020	3	120.7517	1.041	3	120.4885	0.971	4	120.4885	0.971	4	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:1:1:	3:	N-3:N-2:S-1:	C-3:H-1:H-1:	C-3:	C(NHH)(NC)(S)	N(CNS)(H)2	S(CNN)	C(NHH)(NC)(S)	N(CNS)(H)2	S(CNN)	120.9093	3.195	3	120.9093	10.208	3	121.8768	7.459	9	121.8768	7.459	9	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:1:1:	3:	N-3:N-2:S-1:	C-3:H-1:H-1:	C-3:	C(NHH)(NN)(S)	N(CNS)(H)2	S(CNN)	C(NHH)(NN)(S)	N(CNS)(H)2	S(CNN)	122.3605	2.647	6	122.3605	7.009	6	121.8768	7.459	9	121.8768	7.459	9	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:2:1:	3:	N-3:N-2:S-1:	C-3:N-2:H-1:	C-3:	C(NHN)(NC)(S)	N(CNS)(NC)(H)	S(CNN)	C(NHN)(NC)(S)	N(CNS)(NC)(H)	S(CNN)	118.7782	1.302	4	118.7782	1.696	4	119.0982	1.265	6	121.1347	1.041	68	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:2:1:	3:	N-3:N-2:S-1:	C-3:N-2:H-1:	C-3:	C(NHN)(NH)(S)	N(CNS)(NC)(H)	S(CNN)	C(NHN)(NH)(S)	N(CNS)(NC)(H)	S(CNN)	119.7380	0.086	2	119.7380	0.007	2	119.0982	1.265	6	121.1347	1.041	68	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:2:1:	3:	N-3:S-2:S-1:	C-3:N-2:H-1:	C-3:	C(NHN)(SC)(S)	N(CSS)(NC)(H)	S(CNS)	C(NHN)(SC)(S)	N(CSS)(NC)(H)	S(CNS)	121.3318	0.769	62	121.3318	0.592	62	121.3318	0.592	62	121.1347	1.041	68	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCH)(NH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	118.6940	0.000	1	118.6940	0.000	1	122.8573	13.000	3	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NH)(S)	N(CNN)(CNS)(H)	S(CNN)	C(NCH)(NH)(S)	N(CNN)(CNS)(H)	S(CNN)	124.9390	0.025	2	124.9390	0.001	2	122.8573	13.000	3	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	124.8410	0.000	1	124.8410	0.000	1	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	122.7630	3.472	6	122.7630	12.055	6	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[5])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[5])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	119.2220	4.983	5	119.2220	24.830	5	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[5a])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[5a])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	116.7670	0.000	1	116.7670	0.000	1	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	120.2970	0.546	2	120.2970	0.298	2	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NN)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NN)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	129.5360	0.000	1	129.5360	0.000	1	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NN[5])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NN[5])(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	114.5250	0.000	1	114.5250	0.000	1	121.1148	21.411	17	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:O-2:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(OC)(S)	N(CC[6a]O)(COS)(H)	S(CNO)	C(NCH)(OC)(S)	N(CC[6a]O)(COS)(H)	S(CNO)	124.7425	4.065	8	124.7425	16.522	8	124.1181	14.585	10	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:O-2:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(OC)(S)	N(COO)(COS)(H)	S(CNO)	C(NCH)(OC)(S)	N(COO)(COS)(H)	S(CNO)	121.6205	0.097	2	121.6205	0.009	2	124.1181	14.585	10	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:O-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]2)(COS)(H)	S(CNO)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]2)(COS)(H)	S(CNO)	122.4473	1.557	28	122.4473	2.425	28	122.6120	2.665	30	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:O-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]N[6a])(COS)(H)	S(CNO)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]N[6a])(COS)(H)	S(CNO)	124.9190	0.643	2	124.9190	0.414	2	122.6120	2.665	30	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:S-2:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(SC)(S)	N(CC[6a]O)(CSS)(H)	S(CNS)	C(NCH)(SC)(S)	N(CC[6a]O)(CSS)(H)	S(CNS)	118.7575	0.528	2	118.7575	0.279	2	118.7575	0.279	2	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:S-2:S-1:	C-3:N-3:H-1:	C-3:	C(NHN)(SC)(S)	N(CSS)(NCH)(H)	S(CNS)	C(NHN)(SC)(S)	N(CSS)(NCH)(H)	S(CNS)	123.0915	0.501	4	123.0915	0.251	4	123.1328	1.856	6	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:S-2:S-1:	C-3:N-3:H-1:	C-3:	C(NHN)(SC)(S)	N(CSS)(NHH)(H)	S(CNS)	C(NHN)(SC)(S)	N(CSS)(NHH)(H)	S(CNS)	123.2155	2.917	2	123.2155	8.508	2	123.1328	1.856	6	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:S-2:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(SIr)(S)	N(C[6a]C[6a]2)(CSS)(H)	S(CNS)	C(NC[6a]H)(SIr)(S)	N(C[6a]C[6a]2)(CSS)(H)	S(CNS)	126.2125	1.128	2	126.2125	1.272	2	126.2125	1.272	2	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:1:	3:	N-3:S-2:S-1:	N-3:C-3:H-1:	C-3:	C(NHN)(SC)(S)	N(NC[6a]H)(CSS)(H)	S(CNS)	C(NHN)(SC)(S)	N(NC[6a]H)(CSS)(H)	S(CNS)	121.9040	0.007	2	121.9040	0.000	2	121.9040	0.000	2	122.4946	9.946	72	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:3:	3:	N-3:O-2:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]C)(OC)(S)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	S(CNO)	C(NC[6a]C)(OC)(S)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	S(CNO)	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	125.7120	2.164	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:3:	3:	N-3:O-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(NC[6a]2)(OC[6a])(S)	N(C[6a]C[6a]2)2(COS)	S(CNO)	C(NC[6a]2)(OC[6a])(S)	N(C[6a]C[6a]2)2(COS)	S(CNO)	126.3143	0.683	4	126.3143	0.467	4	126.3143	0.467	4	125.7120	2.164	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:4:3:	3:	N-3:O-2:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(OC[6a])(S)	N(C[6a]C[6a]2)(CH3)(COS)	S(CNO)	C(NC[6a]C)(OC[6a])(S)	N(C[6a]C[6a]2)(CH3)(COS)	S(CNO)	125.3710	0.000	1	125.3710	0.000	1	125.3710	0.000	1	125.1397	0.298	4	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:4:3:	3:	N-3:S-2:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(SS)(S)	N(C[6a]C[6a]2)(CCHH)(CSS)	S(CNS)	C(NC[6a]C)(SS)(S)	N(C[6a]C[6a]2)(CCHH)(CSS)	S(CNS)	125.7750	0.000	1	125.7750	0.000	1	125.0627	0.411	3	125.1397	0.298	4	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:4:3:	3:	N-3:S-2:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(SS)(S)	N(C[6a]C[6a]2)(CH3)(CSS)	S(CNS)	C(NC[6a]C)(SS)(S)	N(C[6a]C[6a]2)(CH3)(CSS)	S(CNS)	124.7065	0.245	2	124.7065	0.060	2	125.0627	0.411	3	125.1397	0.298	4	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:N-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NC)(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NCH)(NC)(S)	N(CCHH)(CNS)(H)	S(CNN)	122.2020	0.000	1	122.2020	0.000	1	123.1826	1.003	5	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:N-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)(H)	S(CNN)	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)(H)	S(CNN)	122.3120	0.000	1	122.3120	0.000	1	123.1826	1.003	5	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:N-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NN)(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NCH)(NN)(S)	N(CCHH)(CNS)(H)	S(CNN)	124.2270	0.000	1	124.2270	0.000	1	123.1826	1.003	5	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:N-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NN)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NCH)(NN)(S)	N(CH3)(CNS)(H)	S(CNN)	124.2480	0.000	1	124.2480	0.000	1	123.1826	1.003	5	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:N-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NP)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NCH)(NP)(S)	N(CH3)(CNS)(H)	S(CNN)	122.9240	0.000	1	122.9240	0.000	1	123.1826	1.003	5	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:O-2:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6]H)(OC)(S)	N(C[6]C[6]O[6]H)(COS)(H)	S(CNO)	C(NC[6]H)(OC)(S)	N(C[6]C[6]O[6]H)(COS)(H)	S(CNO)	125.0290	0.000	1	125.0290	0.000	1	125.0290	0.000	1	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:S-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(SC)(S)	N(CCCH)(CSS)(H)	S(CNS)	C(NCH)(SC)(S)	N(CCCH)(CSS)(H)	S(CNS)	123.6060	0.174	3	123.6060	0.030	3	124.6785	2.679	6	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:S-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(SC)(S)	N(CCHH)(CSS)(H)	S(CNS)	C(NCH)(SC)(S)	N(CCHH)(CSS)(H)	S(CNS)	124.1440	0.000	1	124.1440	0.000	1	124.6785	2.679	6	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:S-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(SC)(S)	N(CH3)(CSS)(H)	S(CNS)	C(NCH)(SC)(S)	N(CH3)(CSS)(H)	S(CNS)	125.4230	0.000	1	125.4230	0.000	1	124.6785	2.679	6	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:1:	3:	N-3:S-2:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(SS)(S)	N(CH3)(CSS)(H)	S(CNS)	C(NCH)(SS)(S)	N(CH3)(CSS)(H)	S(CNS)	127.6860	0.000	1	127.6860	0.000	1	124.6785	2.679	6	124.0844	2.226	12	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:2:	3:	N-3:S-2:S-1:	C-4:C-3:N-2:	C-3:	C(NCN)(SC)(S)	N(CH3)(CSS)(NC)	S(CNS)	C(NCN)(SC)(S)	N(CH3)(CSS)(NC)	S(CNS)	123.6380	0.421	4	123.6380	0.177	4	123.6380	0.177	4	123.6380	0.177	4	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:3:	3:	N-3:S-2:S-1:	C-4:C-3:N-3:	C-3:	C(NCN)(SC)(S)	N(CH3)(CSS)(NCH)	S(CNS)	C(NCN)(SC)(S)	N(CH3)(CSS)(NCH)	S(CNS)	122.7447	0.612	3	122.7447	0.375	3	122.7447	0.375	3	122.7447	0.375	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:C-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(CMo)(S)	N(CH3)2(CCS)	S(CCN)	C(NCC)(CMo)(S)	N(CH3)2(CCS)	S(CCN)	125.3470	0.000	1	125.3470	0.000	1	125.3470	0.000	1	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:N-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NC)(S)	N(CCHH)2(CNS)	S(CNN)	C(NCC)(NC)(S)	N(CCHH)2(CNS)	S(CNN)	123.5047	1.210	9	123.5047	1.463	9	123.4258	1.363	10	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:N-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NC)(S)	N(CC[6a]HH)(CC[5]HH)(CNS)	S(CNN)	C(NCC)(NC)(S)	N(CC[6a]HH)(CC[5]HH)(CNS)	S(CNN)	122.7160	0.000	1	122.7160	0.000	1	123.4258	1.363	10	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:O-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(OC)(S)	N(CH3)2(COS)	S(CNO)	C(NCC)(OC)(S)	N(CH3)2(COS)	S(CNO)	125.2940	0.373	3	125.2940	0.139	3	125.2940	0.139	3	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SAs)(S)	N(CCHH)2(CSS)	S(CNS)	C(NCC)(SAs)(S)	N(CCHH)2(CSS)	S(CNS)	123.6713	0.479	3	123.6713	0.229	3	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SC)(S)	N(CCCH)2(CSS)	S(CNS)	C(NCC)(SC)(S)	N(CCCH)2(CSS)	S(CNS)	126.4830	0.000	1	126.4830	0.000	1	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SC)(S)	N(CCHH)2(CSS)	S(CNS)	C(NCC)(SC)(S)	N(CCHH)2(CSS)	S(CNS)	124.1491	0.478	10	124.1491	0.228	10	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SC)(S)	N(CC[6a]HH)2(CSS)	S(CNS)	C(NCC)(SC)(S)	N(CC[6a]HH)2(CSS)	S(CNS)	123.9820	0.000	1	123.9820	0.000	1	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SC)(S)	N(CH3)2(CSS)	S(CNS)	C(NCC)(SC)(S)	N(CH3)2(CSS)	S(CNS)	124.3399	0.319	17	124.3399	0.101	17	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SCr)(S)	N(CH3)2(CSS)	S(CNS)	C(NCC)(SCr)(S)	N(CH3)2(CSS)	S(CNS)	122.6270	0.000	1	122.6270	0.000	1	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SS)(S)	N(CCHH)2(CSS)	S(CNS)	C(NCC)(SS)(S)	N(CCHH)2(CSS)	S(CNS)	125.8980	0.485	5	125.8980	0.235	5	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SS)(S)	N(CC[6a]HH)2(CSS)	S(CNS)	C(NCC)(SS)(S)	N(CC[6a]HH)2(CSS)	S(CNS)	125.8345	0.907	2	125.8345	0.823	2	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SSe)(S)	N(CCHH)2(CSS)	S(CNS)	C(NCC)(SSe)(S)	N(CCHH)2(CSS)	S(CNS)	124.0594	0.752	5	124.0594	0.566	5	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:4:3:	3:	N-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(SSn)(S)	N(CCHH)2(CSS)	S(CNS)	C(NCC)(SSn)(S)	N(CCHH)2(CSS)	S(CNS)	123.2050	0.000	1	123.2050	0.000	1	124.4356	0.786	46	124.3254	1.024	60	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(NC[5])(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(NC[5])(CNS)(H)	S(CNN)	118.0002	0.528	16	118.0002	0.279	16	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	119.1654	0.819	7	119.1654	0.670	7	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(NC[5,6])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(NC[5,6])(CNS)(H)	S(CNN)	117.2110	0.000	1	117.2110	0.000	1	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(NC[5])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(NC[5])(CNS)(H)	S(CNN)	117.8348	0.948	18	117.8348	0.899	18	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	118.2250	0.000	1	118.2250	0.000	1	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(NC[5,6])(CNS)(H)	S(CNN)	C(NHH)(NHN)(S)	N(NC[5,6])(CNS)(H)	S(CNN)	119.8480	0.096	2	119.8480	0.009	2	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(NC[5])(CNS)(H)	S(CNN)	C(NHH)(NHN)(S)	N(NC[5])(CNS)(H)	S(CNN)	118.2124	0.544	8	118.2124	0.296	8	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	C(NHH)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	119.8524	0.909	11	119.8524	0.827	11	118.4749	1.191	64	118.4749	1.191	64	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(CCC)(NHH)(S)	N(CCS)(H)2	S(CCN)	C(CCC)(NHH)(S)	N(CCS)(H)2	S(CCN)	121.9583	0.650	6	121.9583	0.423	6	123.4803	3.002	23	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(CC[5]C)(NHH)(S)	N(CCS)(H)2	S(CCN)	C(CC[5]C)(NHH)(S)	N(CCS)(H)2	S(CCN)	117.8710	0.000	1	117.8710	0.000	1	123.4803	3.002	23	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(CNS)(NHH)(S)	N(CCS)(H)2	S(CCN)	C(CNS)(NHH)(S)	N(CCS)(H)2	S(CCN)	124.4017	0.576	16	124.4017	0.332	16	123.4803	3.002	23	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C[5a]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[5a]C[5a]N[5a])(NHH)(S)	N(CC[5a]S)(H)2	S(CC[5a]N)	C(C[5a]C[5a]N[5a])(NHH)(S)	N(CC[5a]S)(H)2	S(CC[5a]N)	121.0750	0.000	1	121.0750	0.000	1	121.0750	0.000	1	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C[6]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2)(NHH)(S)	N(CC[6]S)(H)2	S(CC[6]N)	C(C[6]C[6]2)(NHH)(S)	N(CC[6]S)(H)2	S(CC[6]N)	124.0488	0.884	23	124.0488	0.781	23	124.0488	0.781	23	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C[6a]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	N(CC[6a]S)(H)2	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	N(CC[6a]S)(H)2	S(CC[6a]N)	121.5878	1.196	58	121.5878	1.429	58	121.6276	1.433	60	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	C[6a]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[6a]C[6a]N[6a])(NHH)(S)	N(CC[6a]S)(H)2	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHH)(S)	N(CC[6a]S)(H)2	S(CC[6a]N)	122.7830	0.561	2	122.7830	0.315	2	121.6276	1.433	60	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NCC)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NCC)(NHH)(S)	N(CNS)(H)2	S(CNN)	119.2097	0.712	3	119.2097	0.508	3	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NCH)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NCH)(NHH)(S)	N(CNS)(H)2	S(CNN)	122.2294	0.985	36	122.2294	0.970	36	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NCN)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NCN)(NHH)(S)	N(CNS)(H)2	S(CNN)	120.8540	0.431	4	120.8540	0.186	4	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NCO)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NCO)(NHH)(S)	N(CNS)(H)2	S(CNN)	122.5780	0.000	1	122.5780	0.000	1	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NC[5]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NC[5]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	123.0200	0.000	1	123.0200	0.000	1	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NC[6]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NC[6]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	121.6750	0.000	1	121.6750	0.000	1	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NC[6a]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NC[6a]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	121.4636	0.640	17	121.4636	0.410	17	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NHH)(NHN)(S)	N(CNS)(H)2	S(CNN)	C(NHH)(NHN)(S)	N(CNS)(H)2	S(CNN)	123.2595	0.925	179	123.2595	0.855	179	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NHH)2(S)	N(CNS)(H)2	S(CNN)	C(NHH)2(S)	N(CNS)(H)2	S(CNN)	121.0637	0.784	183	121.0637	0.615	183	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NN[5]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NN[5]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	124.3300	0.000	1	124.3300	0.000	1	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NN[6]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NN[6]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	123.0085	0.128	2	123.0085	0.016	2	122.1073	1.850	428	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N[5]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(N[5]C[5]2)(NHH)(S)	N(CN[5]S)(H)2	S(CN[5]N)	C(N[5]C[5]2)(NHH)(S)	N(CN[5]S)(H)2	S(CN[5]N)	121.3120	0.000	1	121.3120	0.000	1	123.2331	1.774	27	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N[5]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N(CN[5]S)(H)2	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N(CN[5]S)(H)2	S(CN[5]N)	123.3070	1.301	26	123.3070	1.692	26	123.2331	1.774	27	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:1:1:	3:	N[5a]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(N[5a]C[5a]N[5a])(NHH)(S)	N(CN[5a]S)(H)2	S(CN[5a]N)	C(N[5a]C[5a]N[5a])(NHH)(S)	N(CN[5a]S)(H)2	S(CN[5a]N)	123.9360	1.341	4	123.9360	1.799	4	123.9360	1.799	4	122.2559	2.105	566	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NCC)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NCC)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	121.9209	1.488	7	121.9209	2.214	7	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NCH)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	119.4304	0.935	90	119.4304	0.874	90	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NC[6]H)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NC[6]H)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	119.4032	0.506	13	119.4032	0.256	13	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NC[6a]C)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NC[6a]C)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	122.0645	0.499	2	122.0645	0.249	2	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	119.3628	0.992	71	119.3628	0.984	71	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(CNS)(NH)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(CNS)(NH)(H)	S(CNN)	123.1610	0.000	1	123.1610	0.000	1	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NHH)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NHH)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	119.6203	0.918	135	119.6203	0.842	135	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NHN)2(S)	N(CNS)(NC)(H)	S(CNN)	C(NHN)2(S)	N(CNS)(NC)(H)	S(CNN)	122.8231	2.459	25	122.8231	6.046	25	119.8133	2.143	344	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N[5]-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(N[5]C[5]2)(NHN)(S)	N(CN[5]S)(NC[5])(H)	S(CN[5]N)	C(N[5]C[5]2)(NHN)(S)	N(CN[5]S)(NC[5])(H)	S(CN[5]N)	123.3994	0.382	5	123.3994	0.146	5	123.3994	0.146	5	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:2:1:	3:	N[6]-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(N[6]C[6]2)(NHN)(S)	N(CN[6]S)(NC)(H)	S(CN[6]N)	C(N[6]C[6]2)(NHN)(S)	N(CN[6]S)(NC)(H)	S(CN[6]N)	117.8710	4.695	2	117.8710	22.045	2	117.8710	22.045	2	119.8534	2.368	351	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(CCN)(NCH)(S)	N(CCO)(CCS)(H)	S(CCN)	C(CCN)(NCH)(S)	N(CCO)(CCS)(H)	S(CCN)	125.5450	0.000	1	125.5450	0.000	1	125.7465	0.081	2	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(CCN)(NCH)(S)	N(CC[6a]O)(CCS)(H)	S(CCN)	C(CCN)(NCH)(S)	N(CC[6a]O)(CCS)(H)	S(CCN)	125.9480	0.000	1	125.9480	0.000	1	125.7465	0.081	2	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(CC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	125.0020	0.000	1	125.0020	0.000	1	122.4026	2.610	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]C[5])(NC[6a]H)(S)	N(C[6a]C[6a]N[6a])(CCS)(H)	S(CCN)	C(CC[6a]C[5])(NC[6a]H)(S)	N(C[6a]C[6a]N[6a])(CCS)(H)	S(CCN)	122.1910	0.648	2	122.1910	0.420	2	122.4026	2.610	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[5a]C)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(CN[5a]C)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	121.3145	0.897	2	121.3145	0.805	2	122.4026	2.610	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[5a]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5a]S)(H)	S(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5a]S)(H)	S(CC[5a]N)	126.2450	0.000	1	126.2450	0.000	1	126.4993	0.049	3	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[5a]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5a]S)(H)	S(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5a]S)(H)	S(CC[5a]N)	126.6265	0.028	2	126.6265	0.001	2	126.4993	0.049	3	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[6]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	124.4145	3.126	2	124.4145	9.773	2	124.4145	9.773	2	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[6a]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CNO)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CNO)(H)	S(CC[6a]N)	126.3480	0.000	1	126.3480	0.000	1	126.3480	0.000	1	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[6a]-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(NHN)(S)	N(CC[6a]S)(NHH)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NHN)(S)	N(CC[6a]S)(NHH)(H)	S(CC[6a]N)	120.3790	0.000	1	120.3790	0.000	1	120.3790	0.000	1	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[6a]-3:N-3:S-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(S)	N(C[6]C[6]2)(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(S)	N(C[6]C[6]2)(CC[6a]S)(H)	S(CC[6a]N)	125.7540	0.000	1	125.7540	0.000	1	125.7540	0.000	1	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	S(CC[6a]N)	123.1463	2.229	11	123.1463	4.966	11	123.8649	4.856	17	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	S(CC[6a]N)	125.1823	1.545	6	125.1823	2.388	6	123.8649	4.856	17	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCC)(S)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	S(CCN)	C(NC[6a]H)(CCC)(S)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	S(CCN)	119.1860	0.000	1	119.1860	0.000	1	122.1130	14.571	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCC)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(NC[6a]H)(CCC)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	126.1310	0.000	1	126.1310	0.000	1	122.1130	14.571	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCH)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(NC[6a]H)(CCH)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	118.5500	0.000	1	118.5500	0.000	1	122.1130	14.571	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCS)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(NC[6a]H)(CCS)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	120.3640	0.000	1	120.3640	0.000	1	122.1130	14.571	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CNO)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(NC[6a]H)(CNO)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	126.3340	0.000	1	126.3340	0.000	1	122.1130	14.571	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	118.4185	1.295	6	118.4185	1.677	6	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.4146	1.841	27	119.4146	3.390	27	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	124.7360	0.000	1	124.7360	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NCN)(S)	N(CCS)(CNS)(H)	S(CNN)	C(NCH)(NCN)(S)	N(CCS)(CNS)(H)	S(CNN)	118.3740	0.000	1	118.3740	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NCH)(NHH)(S)	N(CCO)(CNS)(H)	S(CNN)	118.9385	0.776	2	118.9385	0.602	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCH)(NHH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.3433	1.069	3	119.3433	1.143	3	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHH)(S)	N(CNN)(CNS)(H)	S(CNN)	C(NCH)(NHH)(S)	N(CNN)(CNS)(H)	S(CNN)	125.3899	0.546	20	125.3899	0.298	20	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHH)(S)	N(CNO)(CNS)(H)	S(CNN)	C(NCH)(NHH)(S)	N(CNO)(CNS)(H)	S(CNN)	118.0000	0.151	2	118.0000	0.023	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHH)(S)	N(CNS)(COO)(H)	S(CNN)	C(NCH)(NHH)(S)	N(CNS)(COO)(H)	S(CNN)	118.6925	0.118	2	118.6925	0.014	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	120.5020	0.000	1	120.5020	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	121.3271	0.310	13	121.3271	0.096	13	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CNS)(COO)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CNS)(COO)(H)	S(CNN)	119.7170	0.000	1	119.7170	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)2(S)	N(CCO)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CCO)(CNS)(H)	S(CNN)	118.8719	1.037	7	118.8719	1.076	7	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[5]O)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[5]O)(CNS)(H)	S(CNN)	119.0470	0.000	1	119.0470	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	118.3028	0.150	5	118.3028	0.022	5	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.3494	2.030	43	119.3494	4.120	43	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)2(S)	N(CNO)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CNO)(CNS)(H)	S(CNN)	124.5977	5.381	3	124.5977	28.958	3	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCH)2(S)	N(CNS)(COO)(H)	S(CNN)	C(NCH)2(S)	N(CNS)(COO)(H)	S(CNN)	123.3770	5.582	2	123.3770	31.158	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	120.7040	0.000	1	120.7040	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	119.6280	0.065	2	119.6280	0.004	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.6231	0.645	7	119.6231	0.416	7	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	119.2143	0.553	3	119.2143	0.305	3	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6]C)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6]C)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	117.7840	0.000	1	117.7840	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	118.5075	0.626	2	118.5075	0.392	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	117.8152	0.723	6	117.8152	0.522	6	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	118.7370	0.000	1	118.7370	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.3682	0.874	6	119.3682	0.763	6	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]2)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6a]2)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	120.5525	0.806	6	120.5525	0.649	6	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]C)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	119.1060	0.000	1	119.1060	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]C)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	122.7500	0.000	1	122.7500	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]C)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	119.1870	0.595	2	119.1870	0.354	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]C)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.4155	0.057	2	119.4155	0.003	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CCH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CCH)(CNS)(H)	S(CNN)	124.3360	0.000	1	124.3360	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	118.9028	1.489	66	118.9028	2.216	66	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[3]O)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[3]O)(CNS)(H)	S(CNN)	117.5500	0.208	2	117.5500	0.043	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[3x6]O)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[3x6]O)(CNS)(H)	S(CNN)	117.3360	0.361	2	117.3360	0.130	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	117.6505	0.153	2	117.6505	0.024	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	119.7355	3.751	16	119.7355	14.069	16	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6]O)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6]O)(CNS)(H)	S(CNN)	119.0010	0.000	1	119.0010	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6a]N)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6a]N)(CNS)(H)	S(CNN)	119.1150	0.280	2	119.1150	0.078	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	118.6719	1.907	148	118.6719	3.638	148	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	118.9776	1.455	38	118.9776	2.118	38	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCoN)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCoN)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	116.6755	0.332	2	116.6755	0.110	2	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NN[5]H)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	C(NN[5]H)(NCH)(S)	N(CC[5]O)(CNS)(H)	S(CNN)	120.8090	0.000	1	120.8090	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NNiH)(NCH)(S)	N(CNN)(CNS)(H)	S(CNN)	C(NNiH)(NCH)(S)	N(CNN)(CNS)(H)	S(CNN)	116.4380	0.000	1	116.4380	0.000	1	119.3667	5.415	463	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	122.5682	1.973	18	122.5682	3.891	18	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CNS)(NHH)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CNS)(NHH)(H)	S(CNN)	118.8305	0.767	2	118.8305	0.589	2	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NC[6]H)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NC[6]H)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	119.3863	1.986	3	119.3863	3.945	3	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NC[6]H)(NHN)(S)	N(CNS)(NHH)(H)	S(CNN)	C(NC[6]H)(NHN)(S)	N(CNS)(NHH)(H)	S(CNN)	120.2960	0.000	1	120.2960	0.000	1	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	118.8797	1.719	13	118.8797	2.954	13	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(CNS)(NHH)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(CNS)(NHH)(H)	S(CNN)	120.3902	0.118	6	120.3902	0.014	6	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	118.9135	0.730	19	118.9135	0.533	19	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NHN)2(S)	N(CNS)(NHH)(H)	S(CNN)	C(NHN)2(S)	N(CNS)(NHH)(H)	S(CNN)	124.4910	0.000	1	124.4910	0.000	1	120.2217	4.825	63	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[3]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[3]H)(S)	N(C[3]C[3]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[3]H)(S)	N(C[3]C[3]2)(CNS)(H)	S(CNN)	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5]-3:C-3:H-1:	C-3:	C(NC[5]H)(NHH)(S)	N(C[5]N[5]2)(CNS)(H)	S(CNN)	C(NC[5]H)(NHH)(S)	N(C[5]N[5]2)(CNS)(H)	S(CNN)	123.9450	0.000	1	123.9450	0.000	1	121.4368	0.719	16	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[5]H)(S)	N(C[5]N[5]S[5])(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[5]H)(S)	N(C[5]N[5]S[5])(CNS)(H)	S(CNN)	121.2695	0.540	15	121.2695	0.291	15	121.4368	0.719	16	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	S(CNN)	126.6265	0.754	4	126.6265	0.569	4	123.1523	11.056	23	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]2)(CNS)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]2)(CNS)(H)	S(CNN)	125.7145	0.086	2	125.7145	0.007	2	123.1523	11.056	23	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	S(CNN)	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	S(CNN)	125.3710	0.530	7	125.3710	0.281	7	123.1523	11.056	23	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]C[5a]S[5a])(CNS)(H)	S(CNN)	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]C[5a]S[5a])(CNS)(H)	S(CNN)	124.1700	0.000	1	124.1700	0.000	1	123.1523	11.056	23	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	S(CNN)	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	S(CNN)	119.2001	0.543	9	119.2001	0.294	9	123.1523	11.056	23	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]N[6])(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]N[6])(CNS)(H)	S(CNN)	123.3930	0.099	2	123.3930	0.010	2	122.8517	1.860	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C-3:	C(NC[6]H)2(S)	N(C[6]C[6]2)(CNS)(H)	S(CNN)	C(NC[6]H)2(S)	N(C[6]C[6]2)(CNS)(H)	S(CNN)	123.0220	0.000	1	123.0220	0.000	1	122.8517	1.860	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2)(CNS)(H)	S(CNN)	120.1810	0.000	1	120.1810	0.000	1	122.8517	1.860	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]N[6])(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]N[6])(CNS)(H)	S(CNN)	123.5605	0.732	2	123.5605	0.536	2	122.8517	1.860	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[3x6]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[3x6]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	119.5540	0.000	1	119.5540	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	124.5607	1.309	4	124.5607	1.712	4	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	124.6933	1.941	6	124.6933	3.766	6	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	122.5784	0.875	12	122.5784	0.765	12	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	S(CNN)	119.4670	0.000	1	119.4670	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	124.7409	2.931	10	124.7409	8.593	10	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	125.0460	2.480	335	125.0460	6.152	335	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	123.2828	4.072	24	123.2828	16.581	24	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	S(CNN)	120.4560	3.733	8	120.4560	13.933	8	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[3]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[3]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	127.9550	0.000	1	127.9550	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[5]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[5]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	127.9479	0.599	16	127.9479	0.358	16	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	121.8337	2.666	15	121.8337	7.108	15	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	120.7679	0.969	15	120.7679	0.940	15	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	118.8340	0.440	2	118.8340	0.193	2	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHH)(S)	N(C[6a]N[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHH)(S)	N(C[6a]N[6a]2)(CNS)(H)	S(CNN)	119.0740	0.000	1	119.0740	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	S(CNN)	125.8964	1.935	5	125.8964	3.744	5	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	126.2189	1.930	114	126.2189	3.724	114	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	118.8470	0.000	1	118.8470	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	124.2767	1.434	7	124.2767	2.056	7	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	119.6190	0.291	7	119.6190	0.085	7	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHS)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHS)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	123.3610	0.000	1	123.3610	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)2(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)2(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	S(CNN)	123.4860	0.000	1	123.4860	0.000	1	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	123.0767	2.315	112	123.0767	5.360	112	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	S(CNN)	120.1948	3.748	5	120.1948	14.049	5	124.5234	8.110	704	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(NC[6a]H)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(NC[6a]H)(CNS)(H)	S(CNN)	119.2160	0.692	4	119.2160	0.478	4	119.2160	0.478	4	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N[5]-3:C-3:H-1:	C-3:	C(NN[5]H)(NCH)(S)	N(N[5]C[5,6]C[5])(CNS)(H)	S(CNN)	C(NN[5]H)(NCH)(S)	N(N[5]C[5,6]C[5])(CNS)(H)	S(CNN)	126.6910	0.000	1	126.6910	0.000	1	122.6775	32.216	2	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N[5]-3:C-3:H-1:	C-3:	C(NN[5]H)(NHH)(S)	N(N[5]C[5]2)(CNS)(H)	S(CNN)	C(NN[5]H)(NHH)(S)	N(N[5]C[5]2)(CNS)(H)	S(CNN)	118.6640	0.000	1	118.6640	0.000	1	122.6775	32.216	2	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N[6]-3:C-3:H-1:	C-3:	C(NN[6]H)(NHH)(S)	N(N[6]C[6]2)(CNS)(H)	S(CNN)	C(NN[6]H)(NHH)(S)	N(N[6]C[6]2)(CNS)(H)	S(CNN)	118.2290	0.324	2	118.2290	0.105	2	118.2290	0.105	2	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5,5]N[5])(NCH)(S)	N(CC[6a]O)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5,5]N[5])(NCH)(S)	N(CC[6a]O)(CN[5]S)(H)	S(CN[5]N)	126.7110	0.000	1	126.7110	0.000	1	120.7971	6.951	7	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(NCH)(S)	N(CC[6a]O)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5]2)(NCH)(S)	N(CC[6a]O)(CN[5]S)(H)	S(CN[5]N)	119.8070	0.475	5	119.8070	0.226	5	120.7971	6.951	7	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(NCH)(S)	N(CN[5]S)(CCO)(H)	S(CN[5]N)	C(N[5]C[5]2)(NCH)(S)	N(CN[5]S)(CCO)(H)	S(CN[5]N)	119.8340	0.000	1	119.8340	0.000	1	120.7971	6.951	7	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	128.1760	0.000	2	128.1760	0.000	2	126.5790	4.847	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	122.4050	0.000	1	122.4050	0.000	1	126.5790	4.847	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5]C[5]N[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	126.9057	0.835	3	126.9057	0.697	3	126.5790	4.847	6	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[5a]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5a]S)(H)	S(CN[5a]N)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5a]S)(H)	S(CN[5a]N)	125.9480	0.000	1	125.9480	0.000	1	125.9480	0.000	1	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[6]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(NCH)(S)	N(CC[5a]O)(CN[6]S)(H)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N(CC[5a]O)(CN[6]S)(H)	S(CN[6]N)	118.6590	0.000	1	118.6590	0.000	1	117.9522	0.586	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[6]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(NCH)(S)	N(CC[6]O)(CN[6]S)(H)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N(CC[6]O)(CN[6]S)(H)	S(CN[6]N)	118.7430	0.000	1	118.7430	0.000	1	117.9522	0.586	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[6]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(NCH)(S)	N(CC[6a]O)(CN[6]S)(H)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N(CC[6a]O)(CN[6]S)(H)	S(CN[6]N)	117.4530	0.486	3	117.4530	0.236	3	117.9522	0.586	5	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[6]-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(N[6]C[6]2)(NHN)(S)	N(CN[6]S)(NCH)(H)	S(CN[6]N)	C(N[6]C[6]2)(NHN)(S)	N(CN[6]S)(NCH)(H)	S(CN[6]N)	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:1:	3:	N[6]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[6]S)(H)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[6]S)(H)	S(CN[6]N)	121.8792	0.646	13	121.8792	0.417	13	121.8792	0.417	13	122.3807	12.757	1354	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:3:	3:	C-3:N-3:S-1:	C[6a]-3:B-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]B)(S)	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	S(CCN)	C(CC[6a]C)(NC[6a]B)(S)	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	S(CCN)	126.4270	0.000	1	126.4270	0.000	1	126.4270	0.000	1	122.3940	3.918	20	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	S(CC[6a]N)	120.9650	1.051	2	120.9650	1.104	2	121.8067	0.677	7	122.3940	3.918	20	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	S(CC[6a]N)	122.5770	0.000	1	122.5770	0.000	1	121.8067	0.677	7	122.3940	3.918	20	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	S(CC[6a]N)	122.0350	0.496	4	122.0350	0.246	4	121.8067	0.677	7	122.3940	3.918	20	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:3:	3:	N-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	S(CNN)	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	S(CNN)	123.8014	0.747	8	123.8014	0.558	8	123.8014	0.558	8	122.3940	3.918	20	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:3:	3:	N[6]-3:N-3:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	S(CN[6]N)	119.5987	0.484	4	119.5987	0.234	4	119.5987	0.234	4	122.3940	3.918	20	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:4:	3:	C[5a]-3:N-3:S-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[5a]C[5a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	S(CC[5a]N)	C(C[5a]C[5a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	S(CC[5a]N)	123.2190	0.000	1	123.2190	0.000	1	123.2190	0.000	1	123.9920	0.826	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:4:	3:	C[6a]-3:N-3:S-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]O)(CC[6a]S)(CCCH)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]O)(CC[6a]S)(CCCH)	S(CC[6a]N)	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	123.9920	0.826	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:3:4:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	S(CC[6a]N)	124.5327	0.744	3	124.5327	0.553	3	124.5327	0.553	3	123.9920	0.826	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	C[5]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]S[5])(NCH)(S)	N(CC[5]S)(CH3)(H)	S(CC[5]N)	C(C[5]C[5]S[5])(NCH)(S)	N(CC[5]S)(CH3)(H)	S(CC[5]N)	122.9890	0.000	1	122.9890	0.000	1	122.9890	0.000	1	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	C[6]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2)(NCH)(S)	N(CC[6]S)(CH3)(H)	S(CC[6]N)	C(C[6]C[6]2)(NCH)(S)	N(CC[6]S)(CH3)(H)	S(CC[6]N)	124.9578	1.671	6	124.9578	2.793	6	124.9578	2.793	6	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CC3)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CC3)(H)	S(CC[6a]N)	127.4925	0.115	2	127.4925	0.013	2	123.9310	2.163	28	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CCHH)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CCHH)(H)	S(CC[6a]N)	123.4285	0.871	6	123.4285	0.759	6	123.9310	2.163	28	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CH3)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]S)(CH3)(H)	S(CC[6a]N)	123.8347	1.365	8	123.8347	1.863	8	123.9310	2.163	28	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]N[6a])(NCH)(S)	N(CC[6a]S)(CCHH)(H)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NCH)(S)	N(CC[6a]S)(CCHH)(H)	S(CC[6a]N)	123.6528	1.114	12	123.6528	1.241	12	123.9310	2.163	28	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[5]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]2)(NCH)(S)	N(CN[5]S)(CCHH)(H)	S(CN[5]N)	C(N[5]C[5]2)(NCH)(S)	N(CN[5]S)(CCHH)(H)	S(CN[5]N)	123.5060	0.000	1	123.5060	0.000	1	123.1564	2.616	7	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[5]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]2)(NCH)(S)	N(CN[5]S)(CH3)(H)	S(CN[5]N)	C(N[5]C[5]2)(NCH)(S)	N(CN[5]S)(CH3)(H)	S(CN[5]N)	120.9115	1.016	2	120.9115	1.032	2	123.1564	2.616	7	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[5]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]N[5])(NCH)(S)	N(CN[5]S)(CCHH)(H)	S(CN[5]N)	C(N[5]C[5]N[5])(NCH)(S)	N(CN[5]S)(CCHH)(H)	S(CN[5]N)	124.1723	0.295	3	124.1723	0.087	3	123.1564	2.616	7	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[5]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]N[5])(NCH)(S)	N(CN[5]S)(CH3)(H)	S(CN[5]N)	C(N[5]C[5]N[5])(NCH)(S)	N(CN[5]S)(CH3)(H)	S(CN[5]N)	124.2490	0.000	1	124.2490	0.000	1	123.1564	2.616	7	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[5]-3:N-3:S-1:	C-3:P-4:H-1:	C-3:	C(N[5]C[5]2)(NHP)(S)	N(CN[5]S)(PCCS)(H)	S(CN[5]N)	C(N[5]C[5]2)(NHP)(S)	N(CN[5]S)(PCCS)(H)	S(CN[5]N)	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[6]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(N[6]C[6]2)(NCH)(S)	N(CN[6]S)(CCHH)(H)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N(CN[6]S)(CCHH)(H)	S(CN[6]N)	120.3205	0.073	2	120.3205	0.005	2	120.1470	0.134	5	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:1:	3:	N[6]-3:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(N[6]C[6]2)(NCH)(S)	N(CN[6]S)(CH3)(H)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N(CN[6]S)(CH3)(H)	S(CN[6]N)	120.0313	0.465	3	120.0313	0.216	3	120.1470	0.134	5	123.5014	3.510	48	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	C[6]-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	S(CC[6]N)	C(C[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	S(CC[6]N)	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]S)(CCCH)(CCH)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]S)(CCCH)(CCH)	S(CC[6a]N)	124.0830	0.174	2	124.0830	0.030	2	123.4167	1.347	3	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]S)(CH3)(CCH)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]S)(CH3)(CCH)	S(CC[6a]N)	122.0840	0.000	1	122.0840	0.000	1	123.4167	1.347	3	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	C[6a]-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	S(CC[6a]N)	125.1125	0.630	2	125.1125	0.397	2	125.1125	0.397	2	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	N-3:C-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(CCC)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	S(CCN)	C(NC[6a]C)(CCC)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	S(CCN)	122.2300	0.086	2	122.2300	0.007	2	122.2300	0.007	2	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CCHH)(CNS)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CCHH)(CNS)	S(CNN)	124.2860	0.000	1	124.2860	0.000	1	124.1121	0.586	11	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	S(CNN)	124.6910	0.000	1	124.6910	0.000	1	124.1121	0.586	11	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	S(CNN)	124.2311	0.829	7	124.2311	0.688	7	124.1121	0.586	11	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:3:	3:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(NHN)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	S(CNN)	C(NC[6a]C)(NHN)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	S(CNN)	123.3190	0.088	2	123.3190	0.008	2	124.1121	0.586	11	123.9073	1.039	19	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:4:	3:	C[5a]-3:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(C[5a]C[5a]2)(NCC)(S)	N(CC[5a]S)(CCCH)2	S(CC[5a]N)	C(C[5a]C[5a]2)(NCC)(S)	N(CC[5a]S)(CCCH)2	S(CC[5a]N)	126.3500	0.000	1	126.3500	0.000	1	126.3500	0.000	1	124.6297	2.008	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:4:	3:	C[6a]-3:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]S)(CH3)2	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]S)(CH3)2	S(CC[6a]N)	123.8338	0.453	5	123.8338	0.205	5	123.8338	0.205	5	124.6297	2.008	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	3:4:4:	3:	N[5]-3:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(N[5]C[5,6a]C[5])(NCC)(S)	N(CN[5]S)(CH3)2	S(CN[5]N)	C(N[5]C[5,6a]C[5])(NCC)(S)	N(CN[5]S)(CH3)2	S(CN[5]N)	126.8890	0.000	1	126.8890	0.000	1	126.8890	0.000	1	124.6297	2.008	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CCC)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	C(CCC)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	121.4110	0.000	1	121.4110	0.000	1	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CCC)(NCH)(S)	N(CH3)(CCS)(H)	S(CCN)	C(CCC)(NCH)(S)	N(CH3)(CCS)(H)	S(CCN)	119.4790	0.000	1	119.4790	0.000	1	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CNO)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	C(CNO)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	125.0690	0.373	2	125.0690	0.139	2	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CNS)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	C(CNS)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	125.2515	0.305	2	125.2515	0.093	2	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CNS)(NCH)(S)	N(CCHH)(CCS)(H)	S(CCN)	C(CNS)(NCH)(S)	N(CCHH)(CCS)(H)	S(CCN)	124.3533	0.308	3	124.3533	0.095	3	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CNS)(NCH)(S)	N(CC[6a]HH)(CCS)(H)	S(CCN)	C(CNS)(NCH)(S)	N(CC[6a]HH)(CCS)(H)	S(CCN)	125.0842	0.644	4	125.0842	0.415	4	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(COO)(NCH)(S)	N(CC[6a]CH)(CCS)(H)	S(CCN)	C(COO)(NCH)(S)	N(CC[6a]CH)(CCS)(H)	S(CCN)	126.5760	0.134	2	126.5760	0.018	2	124.5387	3.446	15	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C[5a]-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(NCH)(S)	N(CC[6a]HH)(CC[5a]S)(H)	S(CC[5a]N)	C(C[5a]C[5a]2)(NCH)(S)	N(CC[6a]HH)(CC[5a]S)(H)	S(CC[5a]N)	122.2580	0.000	1	122.2580	0.000	1	122.2580	0.000	1	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C[6]-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(NCH)(S)	N(CC[6a]HH)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]O[6])(NCH)(S)	N(CC[6a]HH)(CC[6]S)(H)	S(CC[6]N)	122.5480	0.509	2	122.5480	0.259	2	122.5480	0.259	2	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C[6]-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(NC[6]H)(S)	N(C[6]C[6]2H)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]N[6])(NC[6]H)(S)	N(C[6]C[6]2H)(CC[6]S)(H)	S(CC[6]N)	126.8840	0.000	1	126.8840	0.000	1	126.8840	0.000	1	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C[6a]-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]CH)(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]CH)(CC[6a]S)(H)	S(CC[6a]N)	123.3870	0.116	2	123.3870	0.013	2	124.0767	1.434	3	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C[6a]-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]HH)(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(S)	N(CC[6a]HH)(CC[6a]S)(H)	S(CC[6a]N)	125.4560	0.000	1	125.4560	0.000	1	124.0767	1.434	3	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	C[6a]-3:N-3:S-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	N(C[5]C[5,6a]C[5]H)(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	N(C[5]C[5,6a]C[5]H)(CC[6a]S)(H)	S(CC[6a]N)	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:C-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6]H)(COO)(S)	N(C[6]C[6]2H)(CCS)(H)	S(CCN)	C(NC[6]H)(COO)(S)	N(C[6]C[6]2H)(CCS)(H)	S(CCN)	126.2840	0.387	2	126.2840	0.150	2	126.2840	0.150	2	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	120.4973	0.696	3	120.4973	0.484	3	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHH)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NCH)(NHH)(S)	N(CH3)(CNS)(H)	S(CNN)	120.9293	1.395	7	120.9293	1.947	7	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CC3)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CC3)(CNS)(H)	S(CNN)	121.2400	0.110	2	121.2400	0.012	2	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CCHH)(CNS)(H)	S(CNN)	124.4946	0.831	50	124.4946	0.691	50	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CC[6]CH)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CC[6]CH)(CNS)(H)	S(CNN)	120.9760	0.000	1	120.9760	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	124.7472	0.861	11	124.7472	0.741	11	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	S(CNN)	124.3100	0.916	62	124.3100	0.840	62	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CSiHH)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CSiHH)(CNS)(H)	S(CNN)	125.8590	0.000	1	125.8590	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHP)(S)	N(CCCH)(CNS)(H)	S(CNN)	C(NCH)(NHP)(S)	N(CCCH)(CNS)(H)	S(CNN)	124.3785	1.291	4	124.3785	1.666	4	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHP)(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	C(NCH)(NHP)(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	123.4340	0.000	1	123.4340	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC3)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC3)(CNS)(H)	S(CNN)	121.2780	3.393	2	121.2780	11.510	2	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CCCH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CCCH)(CNS)(H)	S(CNN)	123.2785	1.267	19	123.2785	1.606	19	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CCHH)(CNS)(H)	S(CNN)	123.4142	1.609	47	123.4142	2.589	47	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[5]HH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[5]HH)(CNS)(H)	S(CNN)	122.7663	0.282	3	122.7663	0.080	3	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[5a]HH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[5a]HH)(CNS)(H)	S(CNN)	125.1900	0.000	1	125.1900	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6,6]C[6a]H)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6,6]C[6a]H)(CNS)(H)	S(CNN)	123.1190	2.360	2	123.1190	5.571	2	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6]CH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6]CH)(CNS)(H)	S(CNN)	124.1020	0.000	1	124.1020	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6]HH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6]HH)(CNS)(H)	S(CNN)	119.9990	0.000	1	119.9990	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	S(CNN)	118.1434	0.284	7	118.1434	0.081	7	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	S(CNN)	124.1191	1.752	8	124.1191	3.069	8	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	123.3216	1.256	18	123.3216	1.576	18	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CH3)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CH3)(CNS)(H)	S(CNN)	120.6493	2.214	13	120.6493	4.901	13	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CCCH)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CCCH)(CNS)(H)	S(CNN)	122.6700	0.000	1	122.6700	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CC[6a]3)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CC[6a]3)(CNS)(H)	S(CNN)	117.9513	1.287	4	117.9513	1.657	4	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	122.8280	0.000	1	122.8280	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC3)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC3)(CNS)(H)	S(CNN)	125.6000	1.068	2	125.6000	1.140	2	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CCCH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CCCH)(CNS)(H)	S(CNN)	123.1842	2.211	6	123.1842	4.887	6	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CCHH)(CNS)(H)	S(CNN)	122.4684	1.063	67	122.4684	1.130	67	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CCHP)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CCHP)(CNS)(H)	S(CNN)	123.3822	0.402	4	123.3822	0.162	4	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[5]CH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[5]CH)(CNS)(H)	S(CNN)	123.6740	0.306	5	123.6740	0.094	5	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[5]HH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[5]HH)(CNS)(H)	S(CNN)	122.3632	0.522	4	122.3632	0.272	4	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6,6]C[6a]H)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6,6]C[6a]H)(CNS)(H)	S(CNN)	122.8770	0.000	1	122.8770	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6]HH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6]HH)(CNS)(H)	S(CNN)	122.9840	1.838	2	122.9840	3.380	2	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6a]CH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6a]CH)(CNS)(H)	S(CNN)	123.1280	0.000	1	123.1280	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6a]HH)(CNS)(H)	S(CNN)	123.5275	0.221	2	123.5275	0.049	2	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CC[6a]HP)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CC[6a]HP)(CNS)(H)	S(CNN)	123.5390	0.000	1	123.5390	0.000	1	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CH3)(CNS)(H)	S(CNN)	122.5593	0.926	6	122.5593	0.857	6	123.2130	3.319	371	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[3x6]-4:C-3:H-1:	C-3:	C(NC[3x6]H)(NC[6a]H)(S)	N(C[3x6]C[6,6]3)(CNS)(H)	S(CNN)	C(NC[3x6]H)(NC[6a]H)(S)	N(C[3x6]C[6,6]3)(CNS)(H)	S(CNN)	125.0290	0.000	1	125.0290	0.000	1	125.0290	0.000	1	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[5]-4:C-3:H-1:	C-3:	C(NC[6a]H)(NC[5]H)(S)	N(C[5]C[5]2H)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[5]H)(S)	N(C[5]C[5]2H)(CNS)(H)	S(CNN)	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	S(CNN)	124.8611	1.337	21	124.8611	1.788	21	124.3361	1.514	52	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6]H)(NHH)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	S(CNN)	C(NC[6]H)(NHH)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	S(CNN)	122.7510	0.000	1	122.7510	0.000	1	124.3361	1.514	52	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	S(CNN)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	S(CNN)	124.4344	0.619	14	124.4344	0.383	14	124.3361	1.514	52	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	S(CNN)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	S(CNN)	125.3383	0.945	4	125.3383	0.893	4	124.3361	1.514	52	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	S(CNN)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	S(CNN)	123.1008	0.525	12	123.1008	0.275	12	124.3361	1.514	52	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	N-4:C-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	S(CNN)	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	S(CNN)	121.8035	0.626	2	121.8035	0.392	2	123.2400	2.045	5	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	N-4:C-3:H-1:	C-3:	C(NHN)2(S)	N(NH3)(CNS)(H)	S(CNN)	C(NHN)2(S)	N(NH3)(CNS)(H)	S(CNN)	124.1977	0.675	3	124.1977	0.456	3	123.2400	2.045	5	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	P-4:C-3:H-1:	C-3:	C(NCH)(NHP)(S)	N(PO3)(CNS)(H)	S(CNN)	C(NCH)(NHP)(S)	N(PO3)(CNS)(H)	S(CNN)	117.6545	0.057	2	117.6545	0.003	2	121.2572	5.552	19	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	P-4:C-3:H-1:	C-3:	C(NCH)(NHP)(S)	N(POOS)(CNS)(H)	S(CNN)	C(NCH)(NHP)(S)	N(POOS)(CNS)(H)	S(CNN)	119.5903	0.254	3	119.5903	0.065	3	121.2572	5.552	19	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	P-4:C-3:H-1:	C-3:	C(NC[6a]H)(NHP)(S)	N(POOS)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHP)(S)	N(POOS)(CNS)(H)	S(CNN)	122.1291	2.054	14	122.1291	4.221	14	121.2572	5.552	19	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:1:	3:	N[5]-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:	C(N[5]C[5]2)(NC[6]H)(S)	N(C[6]C[6]2H)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5]2)(NC[6]H)(S)	N(C[6]C[6]2H)(CN[5]S)(H)	S(CN[5]N)	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	123.3208	3.525	475	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:2:	3:	N-3:N-3:S-1:	C-4:C-3:N-2:	C-3:	C(NCH)(NCN)(S)	N(CH3)(CNS)(NC)	S(CNN)	C(NCH)(NCN)(S)	N(CH3)(CNS)(NC)	S(CNN)	122.8200	0.000	1	122.8200	0.000	1	122.4890	0.382	3	122.4890	0.382	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:2:	3:	N-3:N-3:S-1:	C-4:C-3:N-2:	C-3:	C(NCN)(NHH)(S)	N(CH3)(CNS)(NC)	S(CNN)	C(NCN)(NHH)(S)	N(CH3)(CNS)(NC)	S(CNN)	122.3235	0.774	2	122.3235	0.600	2	122.4890	0.382	3	122.4890	0.382	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:3:	3:	C-3:N-3:S-1:	B-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]B)(S)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	S(CCN)	C(CC[6a]C)(NC[6a]B)(S)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	S(CCN)	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	123.8731	9.366	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:3:	3:	C[6a]-3:N-3:S-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	S(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(S)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	S(CC[6a]N)	124.4150	0.000	1	124.4150	0.000	1	124.4150	0.000	1	123.8731	9.366	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:3:	3:	N-3:C-3:S-1:	C[3x6]-4:B-3:C-3:	C-3:	C(NC[3x6]B)(CC[6a]C)(S)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	S(CCN)	C(NC[3x6]B)(CC[6a]C)(S)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	S(CCN)	130.5240	0.000	1	130.5240	0.000	1	130.5240	0.000	1	123.8731	9.366	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:3:	3:	N-3:N-3:S-1:	C-4:C-3:C-3:	C-3:	C(NCC)(NCH)(S)	N(CH3)(CNS)(COO)	S(CNN)	C(NCC)(NCH)(S)	N(CH3)(CNS)(COO)	S(CNN)	121.6470	0.000	1	121.6470	0.000	1	122.2890	0.824	2	123.8731	9.366	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:3:	3:	N-3:N-3:S-1:	C-4:C-3:C-3:	C-3:	C(NC[6a]H)(NCC)(S)	N(CH3)(CHH)(CNS)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(CH3)(CHH)(CNS)	S(CNN)	122.9310	0.000	1	122.9310	0.000	1	122.2890	0.824	2	123.8731	9.366	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:3:	3:	N-3:N-3:S-1:	C-4:C-3:N-3:	C-3:	C(NCN)(NHH)(S)	N(CH3)(CNS)(NHH)	S(CNN)	C(NCN)(NHH)(S)	N(CH3)(CNS)(NHH)	S(CNN)	122.2645	0.004	2	122.2645	0.000	2	122.2645	0.000	2	123.8731	9.366	7	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:3:4:	3:	N[5a]-3:N-3:S-1:	C-4:C-3:C-4:	C-3:	C(N[5a]C[5a,6a]N[5a])(NCC)(S)	N(CC[5]HH)(CN[5a]S)(CCHH)	S(CN[5a]N)	C(N[5a]C[5a,6a]N[5a])(NCC)(S)	N(CC[5]HH)(CN[5a]S)(CCHH)	S(CN[5a]N)	126.5220	0.000	1	126.5220	0.000	1	126.5220	0.000	1	126.5220	0.000	1	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	C-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CCH)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	C(CCH)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	123.3310	0.000	1	123.3310	0.000	1	125.4775	9.215	2	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	C-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CNS)(NCC)(S)	N(CCHH)(CH3)(CCS)	S(CCN)	C(CNS)(NCC)(S)	N(CCHH)(CH3)(CCS)	S(CCN)	127.6240	0.000	1	127.6240	0.000	1	125.4775	9.215	2	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	C[6]-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(C[6]C[6]2)(NCC)(S)	N(CC[6a]HH)2(CC[6]S)	S(CC[6]N)	C(C[6]C[6]2)(NCC)(S)	N(CC[6a]HH)2(CC[6]S)	S(CC[6]N)	124.0130	0.000	1	124.0130	0.000	1	124.0130	0.000	1	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NCH)(S)	N(CCCH)2(CNS)	S(CNN)	C(NCC)(NCH)(S)	N(CCCH)2(CNS)	S(CNN)	127.3920	0.151	2	127.3920	0.023	2	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NCH)(S)	N(CCHH)(CH3)(CNS)	S(CNN)	C(NCC)(NCH)(S)	N(CCHH)(CH3)(CNS)	S(CNN)	124.4195	1.411	2	124.4195	1.990	2	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NCH)(S)	N(CCHH)2(CNS)	S(CNN)	C(NCC)(NCH)(S)	N(CCHH)2(CNS)	S(CNN)	125.1934	0.972	28	125.1934	0.944	28	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NCH)(S)	N(CC[6a]HH)2(CNS)	S(CNN)	C(NCC)(NCH)(S)	N(CC[6a]HH)2(CNS)	S(CNN)	125.3089	0.627	10	125.3089	0.393	10	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NCH)(S)	N(CH3)2(CNS)	S(CNN)	C(NCC)(NCH)(S)	N(CH3)2(CNS)	S(CNN)	123.1420	1.193	5	123.1420	1.424	5	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NHH)(S)	N(CCHH)2(CNS)	S(CNN)	C(NCC)(NHH)(S)	N(CCHH)2(CNS)	S(CNN)	121.9510	0.000	1	121.9510	0.000	1	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NHH)(S)	N(CH3)2(CNS)	S(CNN)	C(NCC)(NHH)(S)	N(CH3)2(CNS)	S(CNN)	123.2880	0.783	2	123.2880	0.614	2	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NHN)(S)	N(CCHH)2(CNS)	S(CNN)	C(NCC)(NHN)(S)	N(CCHH)2(CNS)	S(CNN)	125.0770	0.000	1	125.0770	0.000	1	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)(NHN)(S)	N(CH3)2(CNS)	S(CNN)	C(NCC)(NHN)(S)	N(CH3)2(CNS)	S(CNN)	124.0009	0.801	9	124.0009	0.642	9	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NCC)2(S)	N(CH3)2(CNS)	S(CNN)	C(NCC)2(S)	N(CH3)2(CNS)	S(CNN)	122.1160	0.000	1	122.1160	0.000	1	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NC[6a]H)(NCC)(S)	N(CCHH)(CH3)(CNS)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(CCHH)(CH3)(CNS)	S(CNN)	122.1310	0.000	1	122.1310	0.000	1	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NC[6a]H)(NCC)(S)	N(CCHH)2(CNS)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(CCHH)2(CNS)	S(CNN)	122.7636	0.421	7	122.7636	0.177	7	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NC[6a]H)(NCC)(S)	N(CC[6a]HH)(CCHH)(CNS)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(CC[6a]HH)(CCHH)(CNS)	S(CNN)	122.1070	0.000	1	122.1070	0.000	1	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(NC[6a]H)(NCC)(S)	N(CH3)2(CNS)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(CH3)2(CNS)	S(CNN)	122.9740	0.205	3	122.9740	0.042	3	124.4119	2.030	73	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:3:1:	4:4:3:	3:	N-3:N-3:S-1:	C[6]-4:C-4:C-3:	C-3:	C(NC[6]C)(NCH)(S)	N(C[6]C[6]2H)(CH3)(CNS)	S(CNN)	C(NC[6]C)(NCH)(S)	N(C[6]C[6]2H)(CH3)(CNS)	S(CNN)	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	124.4479	2.089	77	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	3:3:1:	3:	N-3:C-4:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(NC[5a]H)(CCHH)(S)	N(C[5a]N[5a]2)(CCS)(H)	S(CCN)	C(NC[5a]H)(CCHH)(S)	N(C[5a]N[5a]2)(CCS)(H)	S(CCN)	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	124.1585	1.114	10	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	3:3:1:	3:	N-3:C-4:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCHH)(S)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	S(CCN)	C(NC[6a]H)(CCHH)(S)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	S(CCN)	124.4345	0.569	2	124.4345	0.324	2	124.4498	0.298	9	124.1585	1.114	10	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	3:3:1:	3:	N-3:C-4:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCHH)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(NC[6a]H)(CCHH)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	124.8140	0.000	1	124.8140	0.000	1	124.4498	0.298	9	124.1585	1.114	10	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	3:3:1:	3:	N-3:C-4:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CH3)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(NC[6a]H)(CH3)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	124.3942	0.618	6	124.3942	0.382	6	124.4498	0.298	9	124.1585	1.114	10	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	3:4:3:	3:	N-3:C-4:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(CCCH)(S)	N(C[6a]C[6a]2)(CH3)(CCS)	S(CCN)	C(NC[6a]C)(CCCH)(S)	N(C[6a]C[6a]2)(CH3)(CCS)	S(CCN)	121.1565	0.080	2	121.1565	0.006	2	123.1276	3.254	5	123.1276	3.254	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	3:4:3:	3:	N-3:C-4:S-1:	C[6a]-3:C-4:C-3:	C-3:	C(NC[6a]C)(CCHH)(S)	N(C[6a]C[6a]2)(CCHH)(CCS)	S(CCN)	C(NC[6a]C)(CCHH)(S)	N(C[6a]C[6a]2)(CCHH)(CCS)	S(CCN)	124.4417	0.169	3	124.4417	0.028	3	123.1276	3.254	5	123.1276	3.254	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	3:4:1:	4:3:1:	3:	N-3:C-4:S-1:	C[5]-4:C-3:H-1:	C-3:	C(NC[5]H)(CH3)(S)	N(C[5]C[5]2Fe)(CCS)(H)	S(CCN)	C(NC[5]H)(CH3)(S)	N(C[5]C[5]2Fe)(CCS)(H)	S(CCN)	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:1:1:	3:	C-4:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(CH3)(NHH)(S)	N(CCS)(H)2	S(CCN)	C(CH3)(NHH)(S)	N(CCS)(H)2	S(CCN)	121.0840	2.436	3	121.0840	5.934	3	121.0840	5.934	3	122.2955	5.929	6	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:1:1:	3:	C[5]-4:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]N[5]H)(NHH)(S)	N(CC[5]S)(H)2	S(CC[5]N)	C(C[5]C[5]N[5]H)(NHH)(S)	N(CC[5]S)(H)2	S(CC[5]N)	125.9510	0.000	1	125.9510	0.000	1	125.9510	0.000	1	122.2955	5.929	6	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:1:1:	3:	C[6]-4:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2H)(NHH)(S)	N(CC[6]S)(H)2	S(CC[6]N)	C(C[6]C[6]2H)(NHH)(S)	N(CC[6]S)(H)2	S(CC[6]N)	122.2850	0.109	2	122.2850	0.012	2	122.2850	0.012	2	122.2955	5.929	6	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C-4:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(NCH)(S)	N(CCS)(CNS)(H)	S(CCN)	C(CCHH)(NCH)(S)	N(CCS)(CNS)(H)	S(CCN)	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[5a]CH)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	C(CN[5a]CH)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	S(CCN)	128.0620	0.913	6	128.0620	0.833	6	128.0620	0.833	6	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C[5]-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5]S)(H)	S(CC[5]N)	C(C[5]C[5]2Fe)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5]S)(H)	S(CC[5]N)	125.5860	0.000	1	125.5860	0.000	1	123.8045	6.347	2	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C[5]-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5]S)(H)	S(CC[5]N)	C(C[5]C[5]N[5]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5]S)(H)	S(CC[5]N)	122.0230	0.000	1	122.0230	0.000	1	123.8045	6.347	2	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C[6]-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]2H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	122.8470	3.548	3	122.8470	12.585	3	124.1508	9.520	5	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C[6]-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2N)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]2N)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	125.8220	0.000	1	125.8220	0.000	1	124.1508	9.520	5	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	C[6]-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	S(CC[6]N)	126.3910	0.000	1	126.3910	0.000	1	124.1508	9.520	5	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	P-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(PC[6]2S)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	S(CNP)	C(PC[6]2S)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	S(CNP)	129.6920	0.000	1	129.6920	0.000	1	128.5480	2.617	2	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:3:1:	3:	P-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(PC[6a]2O)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	S(CNP)	C(PC[6a]2O)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	S(CNP)	127.4040	0.000	1	127.4040	0.000	1	128.5480	2.617	2	126.0358	8.470	16	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:4:1:	3:	C[5]-4:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2Fe)(NCH)(S)	N(CC[5]S)(CCHH)(H)	S(CC[5]N)	C(C[5]C[5]2Fe)(NCH)(S)	N(CC[5]S)(CCHH)(H)	S(CC[5]N)	122.3403	0.612	3	122.3403	0.375	3	123.7946	4.474	5	123.7946	4.474	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:4:1:	3:	C[5]-4:N-3:S-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]N[5]H)(NCH)(S)	N(CC[5]S)(CC3)(H)	S(CC[5]N)	C(C[5]C[5]N[5]H)(NCH)(S)	N(CC[5]S)(CC3)(H)	S(CC[5]N)	125.9760	1.133	2	125.9760	1.283	2	123.7946	4.474	5	123.7946	4.474	5	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:4:4:	3:	C[5,6]-4:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(NCC)(S)	N(CC[5,6]S)(CH3)2	S(CC[5,6]N)	C(C[5,6]C[5,5,6]C[5,6]H)(NCC)(S)	N(CC[5,6]S)(CH3)2	S(CC[5,6]N)	121.2250	0.313	2	121.2250	0.098	2	121.2250	0.098	2	122.4090	1.279	8	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:4:4:	3:	C[5]-4:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2C)(NCC)(S)	N(CC[5]S)(CCHH)2	S(CC[5]N)	C(C[5]C[5]2C)(NCC)(S)	N(CC[5]S)(CCHH)2	S(CC[5]N)	123.9330	0.000	1	123.9330	0.000	1	122.8037	1.024	6	122.4090	1.279	8	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:4:4:	3:	C[5]-4:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2Fe)(NCC)(S)	N(CC[5]S)(CCCH)2	S(CC[5]N)	C(C[5]C[5]2Fe)(NCC)(S)	N(CC[5]S)(CCCH)2	S(CC[5]N)	123.8510	0.000	1	123.8510	0.000	1	122.8037	1.024	6	122.4090	1.279	8	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	3:4:4:	3:	C[5]-4:N-3:S-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2Fe)(NCC)(S)	N(CC[5]S)(CH3)2	S(CC[5]N)	C(C[5]C[5]2Fe)(NCC)(S)	N(CC[5]S)(CH3)2	S(CC[5]N)	122.2595	0.721	4	122.2595	0.521	4	122.8037	1.024	6	122.4090	1.279	8	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	C(CCCH)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	126.8840	0.000	1	126.8840	0.000	1	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(NCH)(S)	N(CH3)(CCS)(H)	S(CCN)	C(CCCH)(NCH)(S)	N(CH3)(CCS)(H)	S(CCN)	125.2642	0.567	5	125.2642	0.322	5	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]CH)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	C(CC[6a]CH)(NCH)(S)	N(CCCH)(CCS)(H)	S(CCN)	125.1010	0.000	1	125.1010	0.000	1	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CH3)(NCH)(S)	N(CCHH)(CCS)(H)	S(CCN)	C(CH3)(NCH)(S)	N(CCHH)(CCS)(H)	S(CCN)	124.0580	0.000	1	124.0580	0.000	1	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CH3)(NCH)(S)	N(CC[3x6]CH)(CCS)(H)	S(CCN)	C(CH3)(NCH)(S)	N(CC[3x6]CH)(CCS)(H)	S(CCN)	124.9670	0.000	1	124.9670	0.000	1	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CH3)(NCH)(S)	N(CC[6a]HH)(CCS)(H)	S(CCN)	C(CH3)(NCH)(S)	N(CC[6a]HH)(CCS)(H)	S(CCN)	124.3080	0.000	1	124.3080	0.000	1	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(NCH)(S)	N(CC3)(CCS)(H)	S(CCN)	C(CHHN)(NCH)(S)	N(CC3)(CCS)(H)	S(CCN)	125.3515	0.913	2	125.3515	0.833	2	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(CN[5a]2H)(NCH)(S)	N(CC3)(CCS)(H)	S(CCN)	C(CN[5a]2H)(NCH)(S)	N(CC3)(CCS)(H)	S(CCN)	128.2860	0.000	1	128.2860	0.000	1	125.4329	1.334	13	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C-4:N-3:S-1:	S-4:C-3:H-1:	C-3:	C(CH3)(NHS)(S)	N(SO3)(CCS)(H)	S(CCN)	C(CH3)(NHS)(S)	N(SO3)(CCS)(H)	S(CCN)	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C[5]-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(NCH)(S)	N(CC[6a]CH)(CC[5]S)(H)	S(CC[5]N)	C(C[5]C[5]N[5]H)(NCH)(S)	N(CC[6a]CH)(CC[5]S)(H)	S(CC[5]N)	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	C[6]-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(NCH)(S)	N(CC[6a]2H)(CC[6]S)(H)	S(CC[6]N)	C(C[6]C[6]N[6]H)(NCH)(S)	N(CC[6a]2H)(CC[6]S)(H)	S(CC[6]N)	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:3:1:	3:	P-4:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(PC[6a]2S)(NCH)(S)	N(CCCH)(CPS)(H)	S(CNP)	C(PC[6a]2S)(NCH)(S)	N(CCCH)(CPS)(H)	S(CNP)	127.5100	0.000	1	127.5100	0.000	1	127.5100	0.000	1	125.1446	3.944	17	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:4:3:	3:	C-4:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	C(CCHH)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	123.3033	0.905	3	123.3033	0.819	3	123.6498	0.385	13	123.6498	0.385	13	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:4:3:	3:	C-4:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CCHO)(NCC)(S)	N(CC[6a]HH)2(CCS)	S(CCN)	C(CCHO)(NCC)(S)	N(CC[6a]HH)2(CCS)	S(CCN)	124.0480	0.000	1	124.0480	0.000	1	123.6498	0.385	13	123.6498	0.385	13	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:4:3:	3:	C-4:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]HH)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	C(CC[6a]HH)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	123.2050	0.000	1	123.2050	0.000	1	123.6498	0.385	13	123.6498	0.385	13	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:4:3:	3:	C-4:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CH3)(NCC)(S)	N(CC[6a]CH)(CCHH)(CCS)	S(CCN)	C(CH3)(NCC)(S)	N(CC[6a]CH)(CCHH)(CCS)	S(CCN)	124.1695	0.312	2	124.1695	0.097	2	123.6498	0.385	13	123.6498	0.385	13	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	4:3:1:	4:4:3:	3:	C-4:N-3:S-1:	C-4:C-4:C-3:	C-3:	C(CHHN)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	C(CHHN)(NCC)(S)	N(CH3)2(CCS)	S(CCN)	123.6575	0.571	6	123.6575	0.326	6	123.6498	0.385	13	123.6498	0.385	13	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP2	C	N	S	6:3:1:	3:3:1:	3:	C[5x3,5x5,20x6]-6:N-3:S-1:	C-3:C[6a]-3:H-1:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	S(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	S(CC[5x3,5x5,20x6]N)	126.1023	0.374	3	126.1023	0.140	3	126.1023	0.140	3	126.1023	0.140	3	122.3200	8.462	3403	122.3200	8.462	3403
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:2:1:	4:3:2:	3:	N-3:S-2:S-1:	C-4:C-3:N-2:	C-3:	C(NCN)(SC)(S)	N(CH3)(CSS)(NC)	S(CNS)	C(NCN)(SC)(S)	N(CH3)(CSS)(NC)	S(CNS)	124.1850	0.000	1	124.1850	0.000	1	124.1850	0.000	1	124.1850	0.000	1	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	120.3895	0.056	2	120.3895	0.003	2	119.8770	0.674	4	119.8770	0.674	4	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	2:3:1:	3:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(NC[6])(CNS)(H)	S(CNN)	119.3645	0.984	2	119.3645	0.967	2	119.8770	0.674	4	119.8770	0.674	4	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:1:1:	3:	C[6a]-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(C[6a]C[6a]2)(NHH)(S)	N(CC[6a]S)(H)2	S(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(S)	N(CC[6a]S)(H)2	S(CC[6a]N)	123.9090	0.000	1	123.9090	0.000	1	123.9090	0.000	1	122.0341	2.547	7	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NC[6a]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	C(NC[6a]H)(NHH)(S)	N(CNS)(H)2	S(CNN)	120.4140	0.000	1	120.4140	0.000	1	121.7217	2.237	6	122.0341	2.547	7	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NHH)(NHN)(S)	N(CNS)(H)2	S(CNN)	C(NHH)(NHN)(S)	N(CNS)(H)2	S(CNN)	123.5545	0.267	2	123.5545	0.071	2	121.7217	2.237	6	122.0341	2.547	7	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:1:1:	3:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:	C(NHH)2(S)	N(CNS)(H)2	S(CNN)	C(NHH)2(S)	N(CNS)(H)2	S(CNN)	120.9357	0.645	3	120.9357	0.416	3	121.7217	2.237	6	122.0341	2.547	7	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NCH)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	118.3992	0.791	6	118.3992	0.626	6	118.5863	0.766	7	118.5863	0.766	7	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:2:1:	3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:	C(NC[6]H)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	C(NC[6]H)(NHN)(S)	N(CNS)(NC)(H)	S(CNN)	119.7090	0.000	1	119.7090	0.000	1	118.5863	0.766	7	118.5863	0.766	7	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	S(CNN)	118.3230	0.000	1	118.3230	0.000	1	119.0576	1.151	16	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CC[5a]O)(CNS)(H)	S(CNN)	117.4660	0.000	1	117.4660	0.000	1	119.0576	1.151	16	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	118.6376	0.595	8	118.6376	0.354	8	119.0576	1.151	16	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NCC)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	C(NCC)(NCH)(S)	N(CNS)(COO)(H)	S(CNN)	118.4370	0.000	1	118.4370	0.000	1	119.0576	1.151	16	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]2)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6a]2)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	121.0055	0.209	2	121.0055	0.044	2	119.0576	1.151	16	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]C)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	C(NC[6a]C)(NCH)(S)	N(CC[6a]O)(CNS)(H)	S(CNN)	119.8613	0.414	3	119.8613	0.172	3	119.0576	1.151	16	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NCC)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NCC)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	120.7660	0.247	2	120.7660	0.061	2	119.1643	1.654	7	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	117.7490	0.803	2	117.7490	0.645	2	119.1643	1.654	7	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	S(CNN)	119.0400	0.126	3	119.0400	0.016	3	119.1643	1.654	7	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	122.8130	0.000	1	122.8130	0.000	1	121.3771	1.056	18	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	123.7250	0.000	1	123.7250	0.000	1	121.3771	1.056	18	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	S(CNN)	121.1406	0.795	16	121.1406	0.632	16	121.3771	1.056	18	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N-3:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(NC[6]H)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(NC[6]H)(CNS)(H)	S(CNN)	118.1250	0.564	2	118.1250	0.318	2	118.3298	0.307	4	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]H)(NHN)(S)	N(NC[6a]H)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHN)(S)	N(NC[6a]H)(CNS)(H)	S(CNN)	119.0010	0.000	1	119.0010	0.000	1	118.3298	0.307	4	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N-3:N-3:S-1:	N-3:C-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(NC[6]H)(CNS)(H)	S(CNN)	C(NHH)(NHN)(S)	N(NC[6]H)(CNS)(H)	S(CNN)	118.0680	0.000	1	118.0680	0.000	1	118.3298	0.307	4	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N[5]-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	C(N[5]C[5]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	S(CN[5]N)	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	3:3:1:	3:	N[6]-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(NCH)(S)	N(CC[6a]O)(CN[6]S)(H)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N(CC[6a]O)(CN[6]S)(H)	S(CN[6]N)	118.8765	0.699	2	118.8765	0.489	2	118.8765	0.489	2	119.9589	2.616	48	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)(NHN)(S)	N(CC[6]CC)(CNS)(H)	S(CNN)	C(NCH)(NHN)(S)	N(CC[6]CC)(CNS)(H)	S(CNN)	121.9880	0.000	1	121.9880	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CCCH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CCCH)(CNS)(H)	S(CNN)	123.5230	0.000	1	123.5230	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CCHH)(CNS)(H)	S(CNN)	125.4600	0.000	1	125.4600	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	S(CNN)	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	S(CNN)	118.2090	0.000	1	118.2090	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CCCH)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CCCH)(CNS)(H)	S(CNN)	122.5900	0.000	1	122.5900	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6]H)(NCH)(S)	N(CC[6a]CH)(CNS)(H)	S(CNN)	C(NC[6]H)(NCH)(S)	N(CC[6a]CH)(CNS)(H)	S(CNN)	122.0560	0.000	1	122.0560	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]H)(NCH)(S)	N(CCHH)(CNS)(H)	S(CNN)	C(NC[6a]H)(NCH)(S)	N(CCHH)(CNS)(H)	S(CNN)	123.3670	0.000	1	123.3670	0.000	1	122.4561	4.904	7	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	N-4:C-3:H-1:	C-3:	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	S(CNN)	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	S(CNN)	121.0040	0.000	1	121.0040	0.000	1	122.7395	6.024	2	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	N-4:C-3:H-1:	C-3:	C(NHN)2(S)	N(NH3)(CNS)(H)	S(CNN)	C(NHN)2(S)	N(NH3)(CNS)(H)	S(CNN)	124.4750	0.000	1	124.4750	0.000	1	122.7395	6.024	2	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:1:	3:	N-3:N-3:S-1:	S-4:C-3:H-1:	C-3:	C(NC[6a]H)(NHS)(S)	N(SC[6a]OO)(CNS)(H)	S(CNN)	C(NC[6a]H)(NHS)(S)	N(SC[6a]OO)(CNS)(H)	S(CNN)	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	122.2157	4.873	10	120.3670	3.741	78	120.3670	3.741	78
930	956	977	0:SP2_SP-NON_SP3	C	N	S	3:3:1:	4:3:2:	3:	N-3:N-3:S-1:	C-4:C-3:O-2:	C-3:	C(NCO)(NHH)(S)	N(CH3)(CNS)(OH)	S(CNN)	C(NCO)(NHH)(S)	N(CH3)(CNS)(OH)	S(CNN)	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.3670	3.741	78	120.3670	3.741	78
930	956	983	0:SP2_SP1_SP2	C	N	C	2:3:3:	4:4:3:	3:3:	C-2:C-3:N-3:	S-4:S-4:C-3:	C[6a]-3:C-3:	C(CC[6a])(CCO)(NSS)	N(SC[6a]OO)2(CCC)	C(C[6a]C[6a]2)(CCN)	C(CC[6a])(CCO)(NSS)	N(SC[6a]OO)2(CCC)	C(C[6a]C[6a]2)(CCN)	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:1:1:	3:2:	N-3:C-2:O-1:	C-3:H-1:H-1:	C-3:C-2:	C(NHH)(CC)(O)	N(CCO)(H)2	C(CNO)(CI)	C(NHH)(CC)(O)	N(CCO)(H)2	C(CNO)(CI)	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:3:1:	2:3:	N-3:C-2:O-1:	C[6a]-3:C-3:H-1:	C-2:C-3:	C(NC[6a]H)(CC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5])(CNO)	C(NC[6a]H)(CC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5])(CNO)	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:3:1:	3:2:	N-3:C-2:O-1:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(NC[6a]H)(CC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(CNO)(CC)	C(NC[6a]H)(CC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(CNO)(CC)	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:3:1:	3:3:	N-3:C-2:O-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[5a]H)(CC[6a])(O)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(C[6a]C[6a]2)(CNO)	C(NC[5a]H)(CC[6a])(O)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(C[6a]C[6a]2)(CNO)	114.9510	0.023	2	114.9510	0.001	2	114.9510	0.001	2	114.9510	0.001	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:3:1:	4:3:	N-3:C-2:O-1:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:	C(NC[6a]H)(CC[5])(O)	N(C[6a]C[6a]2)(CCO)(H)	C(C[5]C[5,6a]C[6a]N[5])(CNO)	C(NC[6a]H)(CC[5])(O)	N(C[6a]C[6a]2)(CCO)(H)	C(C[5]C[5,6a]C[6a]N[5])(CNO)	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:4:3:	3:1:	N-3:C-2:O-1:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(NC[6a]C)(CN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CNO)(N)	C(NC[6a]C)(CN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CNO)(N)	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	3:4:3:	3:2:	N-3:C-2:O-1:	C[6a]-3:C-4:C-3:	C-3:C-2:	C(NC[6a]C)(CC)(O)	N(C[6a]C[6a]2)(CC3)(CCO)	C(CNO)(CH)	C(NC[6a]C)(CC)(O)	N(C[6a]C[6a]2)(CC3)(CCO)	C(CNO)(CH)	115.9640	0.000	1	115.9640	0.000	1	115.9640	0.000	1	115.9640	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	4:3:1:	3:2:	N-3:C-2:O-1:	C-4:C-3:H-1:	C-3:C-2:	C(NCH)(CC)(O)	N(CC[6a]HH)(CCO)(H)	C(CNO)(CH)	C(NCH)(CC)(O)	N(CC[6a]HH)(CCO)(H)	C(CNO)(CH)	115.2180	0.000	1	115.2180	0.000	1	115.8555	0.813	2	115.8555	0.813	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	4:3:1:	3:2:	N-3:C-2:O-1:	C-4:C-3:H-1:	C-3:C-2:	C(NCH)(CC)(O)	N(CH3)(CCO)(H)	C(CNO)(CI)	C(NCH)(CC)(O)	N(CH3)(CCO)(H)	C(CNO)(CI)	116.4930	0.000	1	116.4930	0.000	1	115.8555	0.813	2	115.8555	0.813	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	4:4:3:	2:3:	N-3:C-2:O-1:	C-4:C-4:C-3:	C-2:C-3:	C(NCC)(CC)(O)	N(CH3)2(CCO)	C(CC[6a])(CNO)	C(NCC)(CC)(O)	N(CH3)2(CCO)	C(CC[6a])(CNO)	116.9114	0.714	5	116.9114	0.509	5	116.9114	0.509	5	116.9114	0.509	5	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	4:4:3:	3:2:	N-3:C-2:O-1:	C-4:C-4:C-3:	C-3:C-2:	C(NCC)(CC)(O)	N(CH3)2(CCO)	C(CNO)(CPd)	C(NCC)(CC)(O)	N(CH3)2(CCO)	C(CNO)(CPd)	116.3300	0.000	1	116.3300	0.000	1	117.5583	1.201	3	117.5583	1.201	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:1:	4:4:3:	3:2:	N-3:C-2:O-1:	C-4:C-4:C-3:	C-3:C-2:	C(NCC)(CC)(O)	N(CH3)2(CCO)	C(CNO)(CPt)	C(NCC)(CC)(O)	N(CH3)2(CCO)	C(CNO)(CPt)	118.1725	0.373	2	118.1725	0.139	2	117.5583	1.201	3	117.5583	1.201	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:1:1:	3:1:	N-3:C-2:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(NOO)(CN)2	N(CCC)(O)2	C(CCN)(N)	C(NOO)(CN)2	N(CCC)(O)2	C(CCN)(N)	118.6058	0.364	5	118.6058	0.133	5	118.6058	0.133	5	118.6058	0.133	5	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:1:	2:3:	N-3:N-2:C-2:	C[6a]-3:C-3:H-1:	C-2:C-3:	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a])(CNN)	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a])(CNN)	122.1620	0.000	1	122.1620	0.000	1	122.1620	0.000	1	122.1620	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:1:	3:1:	N-3:C-2:C-2:	C-3:C-3:O-1:	C-3:N-1:	C(NCO)(CN)2	N(CCC)2(O)	C(CCN)(N)	C(NCO)(CN)2	N(CCC)2(O)	C(CCN)(N)	120.4985	5.943	2	120.4985	35.322	2	120.4985	35.322	2	117.8123	39.307	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:1:	3:1:	N-3:N-2:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)(H)	C(CNN)(N)	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)(H)	C(CNN)(N)	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	117.8123	39.307	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	4:3:1:	2:3:	N-3:N-2:C-2:	C[6]-4:C-3:H-1:	C-2:C-3:	C(NC[6]H)(NC[6a])(CC)	N(C[6]C[6]2H)(CCN)(H)	C(CC[6a])(CNN)	C(NC[6]H)(NC[6a])(CC)	N(C[6]C[6]2H)(CCN)(H)	C(CC[6a])(CNN)	116.2795	1.735	2	116.2795	3.009	2	116.2795	3.009	2	116.2795	3.009	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	4:4:3:	3:2:	N-3:C-2:O-2:	C-4:C-4:C-3:	C-3:C-2:	C(NCC)(CC)(OC)	N(CH3)2(CCO)	C(CNO)(CPd)	C(NCC)(CC)(OC)	N(CH3)2(CCO)	C(CNO)(CPd)	122.9970	0.000	1	122.9970	0.000	1	122.5140	0.467	2	122.5140	0.467	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	4:4:3:	3:2:	N-3:C-2:O-2:	C-4:C-4:C-3:	C-3:C-2:	C(NCC)(CC)(OC)	N(CH3)2(CCO)	C(CNO)(CPt)	C(NCC)(CC)(OC)	N(CH3)2(CCO)	C(CNO)(CPt)	122.0310	0.000	1	122.0310	0.000	1	122.5140	0.467	2	122.5140	0.467	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	4:4:3:	3:3:	N-3:C-2:O-2:	C-4:S-4:C-3:	C-3:C-3:	C(NCS)(CC)(OC)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCC)(CNO)	C(NCS)(CC)(OC)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCC)(CNO)	126.2430	0.000	1	126.2430	0.000	1	126.2430	0.000	1	126.2430	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CCC)(NHH)(CN)	N(CCC)(H)2	C(CCN)(N)	C(CCC)(NHH)(CN)	N(CCC)(H)2	C(CCN)(N)	116.2850	0.000	1	116.2850	0.000	1	116.5554	0.254	25	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CCN)(NHH)(CN)	N(CCC)(H)2	C(CCN)(N)	C(CCN)(NHH)(CN)	N(CCC)(H)2	C(CCN)(N)	116.5667	0.511	24	116.5667	0.262	24	116.5554	0.254	25	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(CC[6a]H)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	C(CC[6a]H)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	112.0510	0.000	1	112.0510	0.000	1	114.7310	3.530	4	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(CC[6a]N)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	C(CC[6a]N)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	114.8130	0.000	1	114.8130	0.000	1	114.7310	3.530	4	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(CNN)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	C(CNN)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	115.9140	0.000	1	115.9140	0.000	1	114.7310	3.530	4	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(CNO)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	C(CNO)(NOO)(CN)	N(CCC)(O)2	C(CCN)(N)	116.1460	0.000	1	116.1460	0.000	1	114.7310	3.530	4	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:1:1:	3:1:	N-3:N-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(NOO)2(CN)	N(CCN)(O)2	C(CNN)(N)	C(NOO)2(CN)	N(CCN)(O)2	C(CNN)(N)	118.1853	0.661	6	118.1853	0.437	6	118.1853	0.437	6	116.6263	1.410	35	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:3:1:	3:1:	C-3:N-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCN)(NCH)(CN)	N(CCC)(CCO)(H)	C(CCN)(N)	C(CCN)(NCH)(CN)	N(CCC)(CCO)(H)	C(CCN)(N)	118.3465	1.279	2	118.3465	1.636	2	118.7970	1.427	3	118.7970	1.427	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:3:1:	3:1:	C-3:N-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCN)(NCH)(CN)	N(CC[6a]O)(CCC)(H)	C(CCN)(N)	C(CCN)(NCH)(CN)	N(CC[6a]O)(CCC)(H)	C(CCN)(N)	119.6980	0.000	1	119.6980	0.000	1	118.7970	1.427	3	118.7970	1.427	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:3:3:	3:2:	N-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-2:	C(NC[6a]C)(CHH)(CC)	N(C[6a]C[6a]2)(CCC)(COO)	C(CCN)(CN)	C(NC[6a]C)(CHH)(CC)	N(C[6a]C[6a]2)(CCC)(COO)	C(CCN)(CN)	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:3:4:	3:3:	C[6a]-3:N-3:C-2:	C[6a]-3:C-3:P-4:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]P)(CC)	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C(CC[6a]2)(CC[6a]N)	123.4170	0.000	3	123.4170	0.000	3	123.4170	0.000	3	123.4170	0.000	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	3:4:3:	3:2:	B-3:N-3:C-2:	B[5]-3:C-4:C-3:	C-3:N-2:	C(BC[6a]2)(NB[5]C)(CN)	N(B[5]O[5]2)(CC3)(CBC)	C(CBN)(NC)	C(BC[6a]2)(NB[5]C)(CN)	N(B[5]O[5]2)(CC3)(CBC)	C(CBN)(NC)	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:1:	2:3:	N-3:N-3:C-2:	C-4:C-3:H-1:	C-2:C-3:	C(NFeC)(NCH)(CC)	N(CCCH)(CCN)(H)	C(CC[3])(CNN)	C(NFeC)(NCH)(CC)	N(CCCH)(CCN)(H)	C(CC[3])(CNN)	116.0100	0.000	1	116.0100	0.000	1	115.8380	0.059	2	115.9737	0.086	6	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:1:	2:3:	N-3:N-3:C-2:	C-4:C-3:H-1:	C-2:C-3:	C(NMnC)(NCH)(CC)	N(CCCH)(CCN)(H)	C(CC[3])(CNN)	C(NMnC)(NCH)(CC)	N(CCCH)(CCN)(H)	C(CC[3])(CNN)	115.6660	0.000	1	115.6660	0.000	1	115.8380	0.059	2	115.9737	0.086	6	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:1:	2:3:	N-3:N-3:C-2:	C[6]-4:C-3:H-1:	C-2:C-3:	C(NC[6]Co)(NC[6]H)(CC)	N(C[6]C[6]2H)(CCN)(H)	C(CC[3])(CNN)	C(NC[6]Co)(NC[6]H)(CC)	N(C[6]C[6]2H)(CCN)(H)	C(CC[3])(CNN)	116.0280	0.253	2	116.0280	0.064	2	116.0415	0.106	4	115.9737	0.086	6	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:1:	2:3:	N-3:N-3:C-2:	C[6]-4:C-3:H-1:	C-2:C-3:	C(NC[6]Fe)(NC[6]H)(CC)	N(C[6]C[6]2H)(CCN)(H)	C(CC[3])(CNN)	C(NC[6]Fe)(NC[6]H)(CC)	N(C[6]C[6]2H)(CCN)(H)	C(CC[3])(CNN)	116.0550	0.502	2	116.0550	0.252	2	116.0415	0.106	4	115.9737	0.086	6	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:1:	3:1:	N-3:C-3:C-2:	C[6]-4:C-3:H-1:	C-3:N-1:	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]2C)(CCC)(H)	C(CCN)(N)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]2C)(CCC)(H)	C(CCN)(N)	114.0240	0.000	1	114.0240	0.000	1	116.5285	12.545	2	116.5285	12.545	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:1:	3:1:	N-3:C-3:C-2:	C[6]-4:C-3:H-1:	C-3:N-1:	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]3)(CCC)(H)	C(CCN)(N)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]3)(CCC)(H)	C(CCN)(N)	119.0330	0.000	1	119.0330	0.000	1	116.5285	12.545	2	116.5285	12.545	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:3:	2:3:	N-3:N-3:C-2:	C-4:C-3:C-3:	C-2:C-3:	C(NMgC)(NCC)(CC)	N(CCCH)(CCN)(CNO)	C(CC[6a])(CNN)	C(NMgC)(NCC)(CC)	N(CCCH)(CCN)(CNO)	C(CC[6a])(CNN)	114.2240	0.617	2	114.2240	0.380	2	114.2240	0.380	2	114.2240	0.380	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:3:3:	3:3:	C[6a]-3:N-3:C-2:	S-4:C-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	N(SC[6a]OO)(CC[6a]C)(CCO)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NCS)(CC)	N(SC[6a]OO)(CC[6a]C)(CCO)	C(CC[6a]H)(CC[6a]N)	117.9255	0.112	2	117.9255	0.013	2	117.9255	0.013	2	117.9255	0.013	2	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	2:3:	C-3:N-3:C-2:	C-4:S-4:C-3:	C-2:C-3:	C(CC[3]H)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[6a])(CCN)	C(CC[3]H)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[6a])(CCN)	115.1420	0.000	1	115.1420	0.000	1	116.7545	5.200	2	117.6020	2.884	4	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	2:3:	C-3:N-3:C-2:	C-4:S-4:C-3:	C-2:C-3:	C(CC[5a]H)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[6a])(CCN)	C(CC[5a]H)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[6a])(CCN)	118.3670	0.000	1	118.3670	0.000	1	116.7545	5.200	2	117.6020	2.884	4	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	2:3:	N-3:N-3:C-2:	C-4:C-4:C-3:	C-2:C-3:	C(NCC)2(CC)	N(CH3)2(CCN)	C(CC[6a])(CNN)	C(NCC)2(CC)	N(CH3)2(CCN)	C(CC[6a])(CNN)	118.4495	0.762	2	118.4495	0.580	2	118.4495	0.580	2	117.6020	2.884	4	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	3:1:	C-3:N-3:C-2:	C-4:C-4:C-3:	C-3:N-1:	C(CCH)(NCC)(CN)	N(CCHH)2(CCC)	C(CCN)(N)	C(CCH)(NCC)(CN)	N(CCHH)2(CCC)	C(CCN)(N)	113.8230	0.000	1	113.8230	0.000	1	113.8230	0.000	1	113.8230	0.000	1	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	3:2:	C-3:N-3:C-2:	C-4:C-4:C-3:	C-3:C-2:	C(CCH)(NCC)(CC)	N(CCCH)2(CCC)	C(CCN)(CSi)	C(CCH)(NCC)(CC)	N(CCCH)2(CCC)	C(CCN)(CSi)	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	117.7605	0.305	4	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	3:2:	N-3:N-3:C-2:	C-4:C-4:C-3:	C-3:C-2:	C(NCC)2(CC)	N(CH3)2(CCN)	C(CNN)(CC)	C(NCC)2(CC)	N(CH3)2(CCN)	C(CNN)(CC)	118.1760	0.068	2	118.1760	0.005	2	118.1760	0.005	2	117.7605	0.305	4	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	3:2:	N-3:N-3:C-2:	C[5]-4:C-4:C-3:	C-3:N-2:	C(NC[5]C)2(CN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(CNN)(NC)	C(NC[5]C)2(CN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(CNN)(NC)	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	117.7605	0.305	4	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	3:3:	C[6a]-3:N-3:C-2:	C-4:S-4:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(CC[6a]N)(CHH)	C(C[6a]C[6a]2)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(CC[6a]N)(CHH)	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	118.5390	0.678	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP2	C	N	C	3:3:2:	4:4:3:	3:3:	C[6a]-3:N-3:C-2:	S-4:S-4:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NSS)(CC)	N(SC[6a]OO)2(CC[6a]C)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NSS)(CC)	N(SC[6a]OO)2(CC[6a]C)	C(CC[6a]H)(CC[6a]N)	118.0635	0.011	2	118.0635	0.000	2	118.0635	0.000	2	118.5390	0.678	3	117.2595	6.161	100	117.2595	6.161	100
930	956	983	0:SP2_SP1_SP3	C	N	C	3:2:2:	4:3:1:	2:3:	N-3:C-2:N-2:	C-4:C-3:H-1:	C-2:C-3:	C(NCH)(CC)(NC)	N(CCCH)(CCN)(H)	C(CC[6a])(CNN)	C(NCH)(CC)(NC)	N(CCCH)(CCN)(H)	C(CC[6a])(CNN)	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:2:2:	4:4:3:	3:3:	N-3:C-2:O-2:	C-4:S-4:C-3:	C-3:C-3:	C(NCS)(CC)(OC)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCC)(CNO)	C(NCS)(CC)(OC)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCC)(CNO)	126.2830	0.000	1	126.2830	0.000	1	126.2830	0.000	1	126.2830	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	3:1:1:	3:1:	C-3:N-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CCN)(NHH)(CN)	N(CCC)(H)2	C(CCN)(N)	C(CCN)(NHH)(CN)	N(CCC)(H)2	C(CCN)(N)	116.2903	0.692	3	116.2903	0.479	3	116.2903	0.479	3	114.6550	5.674	5	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	3:1:1:	3:1:	C[5]-3:N-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(C[5]C[5,6a]N[5])(NHH)(CN)	N(CC[5]C)(H)2	C(CC[5]N)(N)	C(C[5]C[5,6a]N[5])(NHH)(CN)	N(CC[5]C)(H)2	C(CC[5]N)(N)	112.2020	1.297	2	112.2020	1.682	2	112.2020	1.682	2	114.6550	5.674	5	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	3:3:3:	3:2:	C[6]-3:N-3:C-2:	C[6]-3:C-3:N-3:	C-3:O-2:	C(C[6]C[6]2)(NC[6]N)(CO)	N(C[6]C[6]2)(CC[6]C)(NHH)	C(CC[6]N)(OH)	C(C[6]C[6]2)(NC[6]N)(CO)	N(C[6]C[6]2)(CC[6]C)(NHH)	C(CC[6]N)(OH)	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	4:3:1:	2:3:	N-3:N-3:C-2:	C-4:C-3:H-1:	C-2:C-3:	C(NZnC)(NCH)(CC)	N(CCCH)(CCN)(H)	C(CC[6a])(CNN)	C(NZnC)(NCH)(CC)	N(CCCH)(CCN)(H)	C(CC[6a])(CNN)	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	4:4:3:	2:3:	C-3:N-3:C-2:	C-4:S-4:C-3:	C-2:C-3:	C(CC[5a]H)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[6a])(CCN)	C(CC[5a]H)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[6a])(CCN)	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	4:4:3:	3:1:	C-3:N-3:C-2:	C-4:C-4:C-3:	C-3:N-1:	C(CHN)(NCC)(CN)	N(CCHH)2(CCC)	C(CCN)(N)	C(CHN)(NCC)(CN)	N(CCHH)2(CCC)	C(CCN)(N)	117.4443	0.365	3	117.4443	0.133	3	117.4443	0.133	3	117.4443	0.133	3	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	4:4:3:	3:2:	N-3:N-3:C-2:	C[5]-4:C-4:C-3:	C-3:N-2:	C(NC[5]C)2(CN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(CNN)(NC)	C(NC[5]C)2(CN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(CNN)(NC)	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	983	0:SP2_SP1_SP3	C	N	C	3:3:2:	4:4:3:	3:3:	C[6a]-3:N-3:C-2:	C-4:S-4:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(CC[6a]N)(CHH)	C(C[6a]C[6a]2)(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(CC[6a]N)(CHH)	117.9690	0.000	1	117.9690	0.000	1	117.9690	0.000	1	117.9690	0.000	1	116.3536	14.607	15	116.3536	14.607	15
930	956	992	0:SP2_SP2_SP3	C	N	P	3:2:4:	3:3:1:	4:4:4:3:	N-3:N-2:P-4:	C[6a]-3:C-3:H-1:	B-4:C-4:C-4:C-3:	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)(H)	P(BH3)(CC3)2(CNN)	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)(H)	P(BH3)(CC3)2(CNN)	112.6020	0.996	2	112.6020	0.991	2	112.6020	0.991	2	112.6020	0.991	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	3:4:1:	4:3:1:	3:2:2:1:	N-3:P-4:O-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-2:O-1:	C(NC[6]H)(PO3)(O)	N(C[6]C[6]2H)(COP)(H)	P(CNO)(OH)2(O)	C(NC[6]H)(PO3)(O)	N(C[6]C[6]2H)(COP)(H)	P(CNO)(OH)2(O)	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	3:4:3:	3:3:4:	3:3:3:3:	C[6a]-3:P-4:N-3:	C-3:C-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(NCC)	N(CC[6a]O)(CC[6a]P)(CH3)	P(C[6a]C[6a]2)3(CC[6a]N)	C(C[6a]C[6a]2)(PC[6a]3)(NCC)	N(CC[6a]O)(CC[6a]P)(CH3)	P(C[6a]C[6a]2)3(CC[6a]N)	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:1:	3:3:1:	3:3:3:1:	P-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	P(C[6a]C[6a]2)2(CNS)(O)	C(PC[6a]2O)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	P(C[6a]C[6a]2)2(CNS)(O)	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:1:	3:3:1:	4:4:3:1:	P-4:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:S-1:	C(PC[6]2S)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	P(C[6]C[6]2H)2(CNS)(S)	C(PC[6]2S)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	P(C[6]C[6]2H)2(CNS)(S)	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:N-3:O-1:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(NCH)(O)	N(CCCH)(COP)(H)	P(C[6a]C[6a]2)2(CNO)(O)	C(PC[6a]2O)(NCH)(O)	N(CCCH)(COP)(H)	P(C[6a]C[6a]2)2(CNO)(O)	111.9610	0.728	2	111.9610	0.530	2	111.9610	0.530	2	112.0783	0.307	3	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:N-3:S-1:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(NCH)(S)	N(CCCH)(CPS)(H)	P(C[6a]C[6a]2)2(CNS)(S)	C(PC[6a]2S)(NCH)(S)	N(CCCH)(CPS)(H)	P(C[6a]C[6a]2)2(CNS)(S)	112.3130	0.000	1	112.3130	0.000	1	112.3130	0.000	1	112.0783	0.307	3	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	3:3:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6a]C[6a]2)2(CNN)(S)	C(PC[6a]2S)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6a]C[6a]2)2(CNN)(S)	109.6370	0.000	2	109.6370	0.000	2	109.6370	0.000	2	110.3540	0.685	4	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	3:3:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:Se-1:	C(PC[6a]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6a]C[6a]2)2(CNN)(Se)	C(PC[6a]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6a]C[6a]2)2(CNN)(Se)	111.0710	0.000	2	111.0710	0.000	2	111.0710	0.000	2	110.3540	0.685	4	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	3:3:4:3:	P-4:N-3:N-2:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:C-3:	C(PC[6a]2B)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6a]C[6a]2)2(BH3)(CNN)	C(PC[6a]2B)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6a]C[6a]2)2(BH3)(CNN)	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	4:4:3:1:	P-4:N-3:N-2:	C-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:S-1:	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)(H)	P(C[6]C[6]2H)2(CNN)(S)	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)(H)	P(C[6]C[6]2H)2(CNN)(S)	114.1770	0.000	1	114.1770	0.000	1	114.1770	0.000	1	114.3423	0.164	3	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	4:4:3:1:	P-4:N-3:N-2:	C-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:Se-1:	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)(H)	P(C[6]C[6]2H)2(CNN)(Se)	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)(H)	P(C[6]C[6]2H)2(CNN)(Se)	114.8040	0.000	1	114.8040	0.000	1	114.8040	0.000	1	114.3423	0.164	3	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	4:4:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:Se-1:	C(PC[6]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6]C[6]2H)2(CNN)(Se)	C(PC[6]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	P(C[6]C[6]2H)2(CNN)(Se)	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	114.3423	0.164	3	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:1:	4:4:4:3:	P-4:N-3:N-2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:B-4:C-3:	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6]C[6]2H)(CNP)(H)	P(C[6]C[6]2H)2(BH3)(CNN)	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6]C[6]2H)(CNP)(H)	P(C[6]C[6]2H)2(BH3)(CNN)	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	3:1:1:	3:2:1:1:	P-4:N-3:N-3:	C-3:H-1:H-1:	C-3:O-2:O-1:O-1:	C(PO3)(NHH)2	N(CNP)(H)2	P(CNN)(OH)(O)2	C(PO3)(NHH)2	N(CNP)(H)2	P(CNN)(OH)(O)2	118.7620	0.020	2	118.7620	0.000	2	118.7620	0.000	2	118.7620	0.000	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	3:1:1:	3:3:1:1:	P-4:N-3:N-3:	C-3:H-1:H-1:	C[6a]-3:C-3:Se-1:Se-1:	C(PC[6a]Se2)(NCC)(NHH)	N(CNP)(H)2	P(C[6a]C[6a]2)(CNN)(Se)2	C(PC[6a]Se2)(NCC)(NHH)	N(CNP)(H)2	P(C[6a]C[6a]2)(CNN)(Se)2	113.7540	0.107	2	113.7540	0.012	2	113.7540	0.012	2	113.7540	0.012	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	3:3:1:	3:2:2:1:	P-4:C-3:N-3:	C-3:C-3:H-1:	C-3:O-2:O-2:O-1:	C(PO3)(CHH)(NCH)	N(CCO)(CCP)(H)	P(CCN)(OC)2(O)	C(PO3)(CHH)(NCH)	N(CCO)(CCP)(H)	P(CCN)(OC)2(O)	113.4950	0.000	1	113.4950	0.000	1	115.0835	5.047	2	115.0835	5.047	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	3:3:1:	3:2:2:1:	P-4:C-3:N-3:	C-3:C-3:H-1:	C-3:O-2:O-2:O-1:	C(PO3)(CHH)(NCH)	N(CCP)(COO)(H)	P(CCN)(OC)2(O)	C(PO3)(CHH)(NCH)	N(CCP)(COO)(H)	P(CCN)(OC)2(O)	116.6720	0.000	1	116.6720	0.000	1	115.0835	5.047	2	115.0835	5.047	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	4:3:1:	3:3:1:1:	P-4:N-3:N-3:	C-4:C-3:H-1:	C[6a]-3:C-3:Se-1:Se-1:	C(PC[6a]Se2)(NCH)(NHH)	N(CCHH)(CNP)(H)	P(C[6a]C[6a]2)(CNN)(Se)2	C(PC[6a]Se2)(NCH)(NHH)	N(CCHH)(CNP)(H)	P(C[6a]C[6a]2)(CNN)(Se)2	117.9415	1.105	2	117.9415	1.221	2	117.9415	1.221	2	117.9415	1.221	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	4:3:1:	4:4:4:3:	P-4:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:B-4:C-3:	C(PC[6]2B)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	P(C[6]C[6]2H)2(BH3)(CNN)	C(PC[6]2B)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	P(C[6]C[6]2H)2(BH3)(CNN)	119.0045	8.415	2	119.0045	70.817	2	119.0045	70.817	2	119.0045	70.817	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP2_SP3	C	N	P	4:3:3:	4:4:3:	3:3:1:1:	P-4:N-3:N-3:	C-4:C-4:C-3:	C[6a]-3:C-3:Se-1:Se-1:	C(PC[6a]Se2)(NCC)(NHH)	N(CCHH)(CH3)(CNP)	P(C[6a]C[6a]2)(CNN)(Se)2	C(PC[6a]Se2)(NCC)(NHH)	N(CCHH)(CH3)(CNP)	P(C[6a]C[6a]2)(CNN)(Se)2	125.6875	0.127	2	125.6875	0.016	2	125.6875	0.016	2	125.6875	0.016	2	115.1235	19.737	30	115.1235	19.737	30
930	956	992	0:SP2_SP3_SP3	C	N	P	4:3:3:	3:1:1:	3:3:1:1:	P-4:N-3:N-3:	C-3:H-1:H-1:	C[6a]-3:C-3:Se-1:Se-1:	C(PC[6a]Se2)(NCH)(NHH)	N(CNP)(H)2	P(C[6a]C[6a]2)(CNN)(Se)2	C(PC[6a]Se2)(NCH)(NHH)	N(CNP)(H)2	P(C[6a]C[6a]2)(CNN)(Se)2	118.2225	1.109	2	118.2225	1.231	2	118.2225	1.231	2	118.2225	1.231	2	118.2225	1.231	2	118.2225	1.231	2
930	969	996	0:SP2_SP-NON_SP3	C	Ga	Si[4]	4:3:3:	3:4:4:	4:3:3:2:	Si[4]-4:Ga-3:C-3:	C-3:C-4:C-4:	N[4,5]-4:C[4]-3:C-3:C-2:	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	Ga(CSi[4]C)(CC3)2	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	Ga(CSi[4]C)(CC3)2	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	2:1:1:	3:	3:	N-2:S-1:S-1:	C-3:	C-3:	C(NC)(S)2	S(CNS)	S(CNS)	C(NC)(S)2	S(CNS)	S(CNS)	122.9080	0.000	1	122.9080	0.000	1	122.9080	0.000	1	125.4437	4.843	3	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	2:1:1:	3:	3:	O-2:S-1:S-1:	C-3:	C-3:	C(OC)(S)2	S(COS)	S(COS)	C(OC)(S)2	S(COS)	S(COS)	126.7115	0.204	2	126.7115	0.042	2	126.7115	0.042	2	125.4437	4.843	3	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	C-3:S-1:S-1:	C-3:	C-3:	C(CNN)(S)2	S(CCS)	S(CCS)	C(CNN)(S)2	S(CCS)	S(CCS)	130.6815	0.289	2	130.6815	0.084	2	129.3998	9.500	4	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	C-3:S-1:S-1:	C-3:	C-3:	C(CN[6]2)(S)2	S(CCS)	S(CCS)	C(CN[6]2)(S)2	S(CCS)	S(CCS)	131.4230	0.000	1	131.4230	0.000	1	129.3998	9.500	4	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	C-3:S-1:S-1:	C-3:	C-3:	C(CPP)(S)2	S(CCS)	S(CCS)	C(CPP)(S)2	S(CCS)	S(CCS)	124.8130	0.000	1	124.8130	0.000	1	129.3998	9.500	4	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	C[5]-3:S-1:S-1:	C-3:	C-3:	C(C[5]N[5]2)(S)2	S(CC[5]S)	S(CC[5]S)	C(C[5]N[5]2)(S)2	S(CC[5]S)	S(CC[5]S)	130.5116	0.582	13	130.5116	0.338	13	130.5116	0.338	13	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	C[6a]-3:S-1:S-1:	C-3:	C-3:	C(C[6a]C[6a]2)(S)2	S(CC[6a]S)	S(CC[6a]S)	C(C[6a]C[6a]2)(S)2	S(CC[6a]S)	S(CC[6a]S)	125.1887	0.329	3	125.1887	0.109	3	125.1887	0.109	3	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	N-3:S-1:S-1:	C-3:	C-3:	C(NCC)(S)2	S(CNS)	S(CNS)	C(NCC)(S)2	S(CNS)	S(CNS)	120.1544	1.209	17	120.1544	1.461	17	120.4729	2.352	19	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	N-3:S-1:S-1:	C-3:	C-3:	C(NCH)(S)2	S(CNS)	S(CNS)	C(NCH)(S)2	S(CNS)	S(CNS)	122.0440	0.000	1	122.0440	0.000	1	120.4729	2.352	19	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	N-3:S-1:S-1:	C-3:	C-3:	C(NC[6a]2)(S)2	S(CNS)	S(CNS)	C(NC[6a]2)(S)2	S(CNS)	S(CNS)	124.3160	0.000	1	124.3160	0.000	1	120.4729	2.352	19	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	3:1:1:	3:	3:	N[6]-3:S-1:S-1:	C-3:	C-3:	C(N[6]C[6]2)(S)2	S(CN[6]S)	S(CN[6]S)	C(N[6]C[6]2)(S)2	S(CN[6]S)	S(CN[6]S)	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	124.9651	24.716	40	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	4:1:1:	3:	3:	C-4:S-1:S-1:	C-3:	C-3:	C(CC[5]HH)(S)2	S(CCS)	S(CCS)	C(CC[5]HH)(S)2	S(CCS)	S(CCS)	126.1655	0.088	2	126.1655	0.008	2	126.5657	0.484	3	128.1180	3.102	7	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	4:1:1:	3:	3:	C-4:S-1:S-1:	C-3:	C-3:	C(CN[6]HH)(S)2	S(CCS)	S(CCS)	C(CN[6]HH)(S)2	S(CCS)	S(CCS)	127.3660	0.000	1	127.3660	0.000	1	126.5657	0.484	3	128.1180	3.102	7	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	4:1:1:	3:	3:	P-4:S-1:S-1:	C-3:	C-3:	C(PC[6]3)(S)2	S(CPS)	S(CPS)	C(PC[6]3)(S)2	S(CPS)	S(CPS)	130.3385	0.155	2	130.3385	0.024	2	129.2823	1.665	4	128.1180	3.102	7	125.4353	21.458	50	125.4353	21.458	50
930	977	977	0:SP2_SP-NON_SP-NON	C	S	S	4:1:1:	3:	3:	P-4:S-1:S-1:	C-3:	C-3:	C(PC[6a]2O)(S)2	S(CPS)	S(CPS)	C(PC[6a]2O)(S)2	S(CPS)	S(CPS)	128.2260	0.713	2	128.2260	0.508	2	129.2823	1.665	4	128.1180	3.102	7	125.4353	21.458	50	125.4353	21.458	50
930	977	983	0:SP2_SP-NON_SP1	C	S	C	3:2:1:	3:	3:1:	C-3:C-2:S-1:	C-3:	C-3:N-1:	C(CCS)(CN)(S)	S(CCC)	C(CCS)(N)	C(CCS)(CN)(S)	S(CCC)	C(CCS)(N)	115.8530	0.141	2	115.8530	0.020	2	115.8530	0.020	2	115.8530	0.020	2	115.8530	0.020	2	115.8530	0.020	2
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:1:1:	3:	3:3:3:1:	P-4:S-1:S-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(S)2	S(CPS)	P(C[6a]C[6a]2)2(CSS)(O)	C(PC[6a]2O)(S)2	S(CPS)	P(C[6a]C[6a]2)2(CSS)(O)	115.8080	3.793	4	115.8080	14.389	4	115.8080	14.389	4	115.8080	14.389	4	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:1:1:	3:	4:4:4:3:	P-4:S-1:S-1:	C-3:	C[6]-4:C[6]-4:C[6]-4:C-3:	C(PC[6]3)(S)2	S(CPS)	P(C[6]C[6]2H)3(CSS)	C(PC[6]3)(S)2	S(CPS)	P(C[6]C[6]2H)3(CSS)	114.7862	2.066	4	114.7862	4.269	4	114.7862	4.269	4	114.7862	4.269	4	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:2:1:	3:	3:3:4:3:	P-4:S-2:S-1:	C-3:	C[6a]-3:C[6a]-3:B-4:C-3:	C(PC[6a]2B)(SC)(S)	S(CPS)	P(C[6a]C[6a]2)2(BH3)(CSS)	C(PC[6a]2B)(SC)(S)	S(CPS)	P(C[6a]C[6a]2)2(BH3)(CSS)	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:2:1:	3:	4:4:3:1:	P-4:S-2:S-1:	C-3:	C-4:C-4:C-3:O-1:	C(PCCO)(SC)(S)	S(CPS)	P(CC3)2(CSS)(O)	C(PCCO)(SC)(S)	S(CPS)	P(CC3)2(CSS)(O)	122.9320	0.000	1	122.9320	0.000	1	122.9320	0.000	1	122.3985	0.569	2	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:2:1:	3:	4:4:3:1:	P-4:S-2:S-1:	C-3:	C-4:C-4:C-3:Se-1:	C(PSeCC)(SC)(S)	S(CPS)	P(CC3)2(CSS)(Se)	C(PSeCC)(SC)(S)	S(CPS)	P(CC3)2(CSS)(Se)	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	122.3985	0.569	2	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:3:1:	3:	3:3:3:1:	P-4:N-3:S-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(NC[6a]H)(S)	S(CNP)	P(C[6a]C[6a]2)2(CNS)(O)	C(PC[6a]2O)(NC[6a]H)(S)	S(CNP)	P(C[6a]C[6a]2)2(CNS)(O)	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	119.9925	0.037	2	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:3:1:	3:	3:3:3:1:	P-4:N-3:S-1:	C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(NCH)(S)	S(CNP)	P(C[6a]C[6a]2)2(CNS)(S)	C(PC[6a]2S)(NCH)(S)	S(CNP)	P(C[6a]C[6a]2)2(CNS)(S)	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	119.9925	0.037	2	117.4478	12.383	14	117.4478	12.383	14
930	977	992	0:SP2_SP-NON_SP3	C	S	P	4:3:1:	3:	4:4:3:1:	P-4:N-3:S-1:	C-3:	C[6]-4:C[6]-4:C-3:S-1:	C(PC[6]2S)(NC[6a]H)(S)	S(CNP)	P(C[6]C[6]2H)2(CNS)(S)	C(PC[6]2S)(NC[6a]H)(S)	S(CNP)	P(C[6]C[6]2H)2(CNS)(S)	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	117.4478	12.383	14	117.4478	12.383	14
930	979	979	0:SP2_SP2_SP2	C	Si	Si	3:3:4:	3:3:2:	3:3:3:	Si-3:Si-3:C-4:	C[5]-3:C-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C(SiC[6a]2)(SiC[5]P)(CC3)	Si(C[5]N[5]2)(CSiC)(PSi)	Si(C[6a]C[6a]2)2(CSiC)	C(SiC[6a]2)(SiC[5]P)(CC3)	Si(C[5]N[5]2)(CSiC)(PSi)	Si(C[6a]C[6a]2)2(CSiC)	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	109.0310	5.773	2	109.0310	5.773	2
930	979	979	0:SP2_SP2_SP2	C	Si	Si	3:3:4:	3:3:3:	3:3:3:	Si-3:Si-3:C-4:	C[5]-3:C-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C(SiC[6a]2)(SiC[5]P)(CC3)	Si(C[5]N[5]2)(CSiC)(PSiW)	Si(C[6a]C[6a]2)2(CSiC)	C(SiC[6a]2)(SiC[5]P)(CC3)	Si(C[5]N[5]2)(CSiC)(PSiW)	Si(C[6a]C[6a]2)2(CSiC)	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	109.0310	5.773	2	109.0310	5.773	2
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	2:3:	2:3:	C-2:C-2:O-1:	C-2:C-3:	C-2:C-3:	C(CC)2(O)	C(CC[5])(CCO)	C(CC[5])(CCO)	C(CC)2(O)	C(CC[5])(CCO)	C(CC[5])(CCO)	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	2:3:	4:3:	C-2:C-2:Cl-1:	Br-2:C-3:	C-4:C-3:	C(CBr)(CC)(Cl)	C(BrC[6])(CClC)	C(CCCF)(CClC)	C(CBr)(CC)(Cl)	C(BrC[6])(CClC)	C(CCCF)(CClC)	130.0990	0.000	1	130.0990	0.000	1	130.0990	0.000	1	130.0990	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:1:	3:1:	C-2:C-2:H-1:	C-3:H-1:	C-3:N-1:	C(CH)(CN)(H)	C(CCH)(H)	C(CCH)(N)	C(CH)(CN)(H)	C(CCH)(H)	C(CCH)(N)	121.8940	0.000	1	121.8940	0.000	1	121.8940	0.000	1	118.8455	18.587	2	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:1:	3:1:	C-2:C-2:O-1:	C-3:D-1:	C-3:D-1:	C(CD)2(O)	C(CCO)(D)	C(CCO)(D)	C(CD)2(O)	C(CCO)(D)	C(CCO)(D)	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	118.8455	18.587	2	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:2:	3:1:	C-2:C-2:C-1:	C-3:C-2:	C-3:N-1:	C(CC)(CN)(C)	C(CCC)(CC)	C(CCC)(N)	C(CC)(CN)(C)	C(CCC)(CC)	C(CCC)(N)	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	115.8325	110.841	2	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:2:	3:1:	C-2:C-2:H-1:	C-3:N-2:	C-3:N-1:	C(CN)2(H)	C(CCH)(NOs)	C(CCH)(N)	C(CN)2(H)	C(CCH)(NOs)	C(CCH)(N)	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	115.8325	110.841	2	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:2:	3:2:	C-2:C-2:H-1:	C-3:C-2:	C-3:C-2:	C(CC)2(H)	C(CCH)(CC)	C(CCH)(CC)	C(CC)2(H)	C(CCH)(CC)	C(CCH)(CC)	123.5380	1.355	3	123.5380	1.837	3	123.5380	1.837	3	120.2367	16.475	6	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:2:	3:2:	C-2:C-2:H-1:	C-3:N-2:	C-3:N-2:	C(CN)2(H)	C(CCH)(NB)	C(CCH)(NB)	C(CN)2(H)	C(CCH)(NB)	C(CCH)(NB)	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	120.2367	16.475	6	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:2:	3:2:	C-2:C-2:O-1:	C-3:C-2:	C-3:C-2:	C(CC)2(O)	C(CCO)(CAu)	C(CCO)(CAu)	C(CC)2(O)	C(CCO)(CAu)	C(CCO)(CAu)	115.4460	0.016	2	115.4460	0.000	2	115.4460	0.000	2	120.2367	16.475	6	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:3:	3:1:	C-2:C-2:H-1:	C-3:C-3:	C-3:N-1:	C(CC)(CN)(H)	C(CCC)(CCH)	C(CCH)(N)	C(CC)(CN)(H)	C(CCC)(CCH)	C(CCH)(N)	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:1:	3:3:	3:2:	C-2:C-2:H-1:	C-3:C-3:	C-3:C-2:	C(CC)2(H)	C(CCH)(CCN)	C(CCH)(CC)	C(CC)2(H)	C(CCH)(CCN)	C(CCH)(CC)	129.7300	0.000	1	129.7300	0.000	1	129.7300	0.000	1	129.7300	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	2:3:	2:3:	N-2:C-2:C-2:	C-2:C-3:	C-2:C-3:	C(NC[6a])(CC)2	C(CC[6a])(CCN)	C(CC[6a])(CCN)	C(NC[6a])(CC)2	C(CC[6a])(CCN)	C(CC[6a])(CCN)	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	2:3:	3:2:	P-2:C-2:C-2:	C-2:C-3:	C-3:C-2:	C(PC[6a])(CC)2	C(CC[6a])(CCP)	C(CCP)(CSi)	C(PC[6a])(CC)2	C(CC[6a])(CCP)	C(CCP)(CSi)	118.0660	0.000	1	118.0660	0.000	1	118.0660	0.000	1	118.0660	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:1:	3:1:	C-2:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CN)3	C(CCC)(N)	C(CCC)(N)	C(CN)3	C(CCC)(N)	C(CCC)(N)	120.0577	0.967	98	120.0577	0.935	98	120.0487	0.934	99	119.9797	1.371	107	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:1:	3:1:	C-2:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CRu)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CRu)(CN)2	C(CCC)(N)	C(CCC)(N)	119.1740	0.000	1	119.1740	0.000	1	120.0487	0.934	99	119.9797	1.371	107	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:1:	3:1:	C-2:C-2:N-2:	C-3:N-1:	C-3:N-1:	C(CN)2(NC)	C(CCN)(N)	C(CCN)(N)	C(CN)2(NC)	C(CCN)(N)	C(CCN)(N)	116.7233	0.934	3	116.7233	0.873	3	119.1252	6.783	8	119.9797	1.371	107	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:1:	3:1:	C-2:C-2:N-2:	C-3:N-1:	C-3:N-1:	C(CN)2(NN)	C(CCN)(N)	C(CCN)(N)	C(CN)2(NN)	C(CCN)(N)	C(CCN)(N)	119.0890	0.000	1	119.0890	0.000	1	119.1252	6.783	8	119.9797	1.371	107	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:1:	3:1:	C-2:C-2:N-2:	C-3:N-1:	C-3:N-1:	C(CN)2(NO)	C(CCN)(N)	C(CCN)(N)	C(CN)2(NO)	C(CCN)(N)	C(CCN)(N)	120.9357	2.259	4	120.9357	5.104	4	119.1252	6.783	8	119.9797	1.371	107	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NCd)	C(CCC)(N)	C(CN)3	C(CCC)(NCd)	C(CCC)(N)	120.2705	0.050	2	120.2705	0.003	2	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NCo)	C(CCC)(N)	C(CN)3	C(CCC)(NCo)	C(CCC)(N)	119.7346	1.536	10	119.7346	2.360	10	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NCu)	C(CCC)(N)	C(CN)3	C(CCC)(NCu)	C(CCC)(N)	119.7247	0.950	10	119.7247	0.902	10	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NFe)	C(CCC)(N)	C(CN)3	C(CCC)(NFe)	C(CCC)(N)	119.4103	0.395	4	119.4103	0.156	4	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NMn)	C(CCC)(N)	C(CN)3	C(CCC)(NMn)	C(CCC)(N)	120.7065	0.118	2	120.7065	0.014	2	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NNi)	C(CCC)(N)	C(CN)3	C(CCC)(NNi)	C(CCC)(N)	119.7597	0.777	8	119.7597	0.603	8	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NRe)	C(CCC)(N)	C(CN)3	C(CCC)(NRe)	C(CCC)(N)	119.9088	2.458	6	119.9088	6.043	6	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NTi)	C(CCC)(N)	C(CN)3	C(CCC)(NTi)	C(CCC)(N)	121.1710	1.374	3	121.1710	1.888	3	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:1:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CN)3	C(CCC)(NZn)	C(CCC)(N)	C(CN)3	C(CCC)(NZn)	C(CCC)(N)	119.4880	0.147	2	119.4880	0.022	2	119.8768	1.663	47	119.8768	1.663	47	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	2:2:2:	3:2:	3:2:	C-2:C-2:C-2:	C-3:N-2:	C-3:N-2:	C(CN)3	C(CCC)(NTi)	C(CCC)(NTi)	C(CN)3	C(CCC)(NTi)	C(CCC)(NTi)	118.1930	0.215	2	118.1930	0.046	2	118.1930	0.046	2	118.1930	0.046	2	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	2:3:	C-3:C-2:C-2:	C-2:C-3:	C-2:C-3:	C(CBr2)(CC)2	C(CC[5])(CCC)	C(CC[5])(CCC)	C(CBr2)(CC)2	C(CC[5])(CCC)	C(CC[5])(CCC)	116.7130	0.000	1	116.7130	0.000	1	117.2596	4.337	9	117.2596	4.337	9	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	2:3:	C-3:C-2:C-2:	C-2:C-3:	C-2:C-3:	C(CCC)(CC)2	C(CB[3x6])(CCC)	C(CB[3x6])(CCC)	C(CCC)(CC)2	C(CB[3x6])(CCC)	C(CB[3x6])(CCC)	113.1180	0.000	1	113.1180	0.000	1	117.2596	4.337	9	117.2596	4.337	9	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	2:3:	C-3:C-2:C-2:	C-2:C-3:	C-2:C-3:	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CC[6a])(CCC)	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CC[6a])(CCC)	118.6286	0.847	5	118.6286	0.717	5	117.2596	4.337	9	117.2596	4.337	9	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	2:3:	C-3:C-2:C-2:	C-2:C-3:	C-2:C-3:	C(CC[5]H)(CC)2	C(CC[6a])(CCC)	C(CC[6a])(CCC)	C(CC[5]H)(CC)2	C(CC[6a])(CCC)	C(CC[6a])(CCC)	117.3380	0.000	1	117.3380	0.000	1	117.2596	4.337	9	117.2596	4.337	9	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	2:3:	C-3:C-2:C-2:	C-2:C-3:	C-2:C-3:	C(CC[6a]2)(CC)2	C(CC[6a])(CCC)	C(CC[6a])(CCC)	C(CC[6a]2)(CC)2	C(CC[6a])(CCC)	C(CC[6a])(CCC)	115.0240	0.000	1	115.0240	0.000	1	117.2596	4.337	9	117.2596	4.337	9	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	3:1:	C-3:C-2:C-2:	C-2:C-3:	C-3:N-1:	C(CCC)(CC)(CN)	C(CC[6a])(CCC)	C(CCC)(N)	C(CCC)(CC)(CN)	C(CC[6a])(CCC)	C(CCC)(N)	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	3:2:	C-3:C-2:C-2:	C-2:C-3:	C-3:C-2:	C(CBr2)(CC)2	C(CC[6a])(CCC)	C(CCC)(CC)	C(CBr2)(CC)2	C(CC[6a])(CCC)	C(CCC)(CC)	118.8820	0.000	1	118.8820	0.000	1	117.6186	1.467	7	117.6186	1.467	7	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	3:2:	C-3:C-2:C-2:	C-2:C-3:	C-3:C-2:	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CCC)(CC)	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CCC)(CC)	117.7770	0.931	4	117.7770	0.866	4	117.6186	1.467	7	117.6186	1.467	7	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	2:3:	3:2:	C-3:C-2:C-2:	C-2:C-3:	C-3:C-2:	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CCC)(CFe)	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CCC)(CFe)	116.6700	1.646	2	116.6700	2.710	2	117.6186	1.467	7	117.6186	1.467	7	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CB[3x6]C)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CB[3x6]C)(CN)2	C(CCC)(N)	C(CCC)(N)	113.1320	0.000	1	113.1320	0.000	1	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(N)	C(CCC)(N)	116.8220	1.472	69	116.8220	2.166	69	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CCH)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CCH)(CN)2	C(CCC)(N)	C(CCC)(N)	116.2139	1.013	21	116.2139	1.026	21	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CCN)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CCN)(CN)2	C(CCC)(N)	C(CCC)(N)	116.2472	2.561	5	116.2472	6.557	5	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CCO)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CCO)(CN)2	C(CCC)(N)	C(CCC)(N)	116.3791	1.376	27	116.3791	1.894	27	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CCS)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CCS)(CN)2	C(CCC)(N)	C(CCC)(N)	114.4615	1.204	11	114.4615	1.450	11	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[5]2)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[5]2)(CN)2	C(CCC)(N)	C(CCC)(N)	110.2640	1.670	2	110.2640	2.790	2	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[5]C)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[5]C)(CN)2	C(CCC)(N)	C(CCC)(N)	114.4257	1.062	12	114.4257	1.127	12	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[5]H)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[5]H)(CN)2	C(CCC)(N)	C(CCC)(N)	114.2885	0.347	4	114.2885	0.121	4	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[5a]2)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[5a]2)(CN)2	C(CCC)(N)	C(CCC)(N)	111.3380	0.000	1	111.3380	0.000	1	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[5a]C)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(CCC)(N)	C(CCC)(N)	115.0028	2.442	25	115.0028	5.962	25	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[5a]H)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[5a]H)(CN)2	C(CCC)(N)	C(CCC)(N)	115.9834	0.498	24	115.9834	0.248	24	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6]C)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6]C)(CN)2	C(CCC)(N)	C(CCC)(N)	114.8874	1.926	5	114.8874	3.708	5	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]2)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]2)(CN)2	C(CCC)(N)	C(CCC)(N)	113.0128	0.844	10	113.0128	0.713	10	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]C)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(CCC)(N)	C(CCC)(N)	114.3513	1.292	60	114.3513	1.669	60	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]C[3])(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]C[3])(CN)2	C(CCC)(N)	C(CCC)(N)	114.8690	0.596	3	114.8690	0.355	3	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]C[5])(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]C[5])(CN)2	C(CCC)(N)	C(CCC)(N)	113.1950	0.000	1	113.1950	0.000	1	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]H)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]H)(CN)2	C(CCC)(N)	C(CCC)(N)	115.0106	0.957	77	115.0106	0.915	77	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]N)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]N)(CN)2	C(CCC)(N)	C(CCC)(N)	113.7295	0.375	2	113.7295	0.141	2	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]N[5a])(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]N[5a])(CN)2	C(CCC)(N)	C(CCC)(N)	113.2805	1.252	2	113.2805	1.568	2	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CC[6a]O)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CC[6a]O)(CN)2	C(CCC)(N)	C(CCC)(N)	115.4570	0.000	1	115.4570	0.000	1	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CHN)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CHN)(CN)2	C(CCC)(N)	C(CCC)(N)	116.7190	1.561	3	116.7190	2.436	3	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CNN)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CNN)(CN)2	C(CCC)(N)	C(CCC)(N)	118.4800	0.000	1	118.4800	0.000	1	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CNO)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CNO)(CN)2	C(CCC)(N)	C(CCC)(N)	118.6522	0.777	26	118.6522	0.603	26	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CN[6]C)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CN[6]C)(CN)2	C(CCC)(N)	C(CCC)(N)	113.7030	0.000	1	113.7030	0.000	1	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(COsC)(CN)2	C(CCC)(N)	C(CCC)(N)	C(COsC)(CN)2	C(CCC)(N)	C(CCC)(N)	112.9385	1.224	2	112.9385	1.498	2	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CRuC)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CRuC)(CN)2	C(CCC)(N)	C(CCC)(N)	115.4889	2.238	9	115.4889	5.010	9	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(CSS)(CN)2	C(CCC)(N)	C(CCC)(N)	C(CSS)(CN)2	C(CCC)(N)	C(CCC)(N)	117.1716	1.098	17	117.1716	1.207	17	115.6183	3.526	422	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[3]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[3]C[3]2)(CN)2	C(CC[3]C)(N)	C(CC[3]C)(N)	C(C[3]C[3]2)(CN)2	C(CC[3]C)(N)	C(CC[3]C)(N)	118.1907	1.087	9	118.1907	1.181	9	118.1907	1.181	9	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[4]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[4]C[4]2)(CN)2	C(CC[4]C)(N)	C(CC[4]C)(N)	C(C[4]C[4]2)(CN)2	C(CC[4]C)(N)	C(CC[4]C)(N)	116.1833	1.589	6	116.1833	2.524	6	116.7379	2.870	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[4]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[4]S[4]2)(CN)2	C(CC[4]C)(N)	C(CC[4]C)(N)	C(C[4]S[4]2)(CN)2	C(CC[4]C)(N)	C(CC[4]C)(N)	118.4015	0.302	2	118.4015	0.091	2	116.7379	2.870	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[4a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[4a]C[4a]2)(CN)2	C(CC[4a]C)(N)	C(CC[4a]C)(N)	C(C[4a]C[4a]2)(CN)2	C(CC[4a]C)(N)	C(CC[4a]C)(N)	116.7200	0.000	1	116.7200	0.000	1	116.7200	0.000	1	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5,5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5,5]C[5,5,6]2)(CN)2	C(CC[5,5]C)(N)	C(CC[5,5]C)(N)	C(C[5,5]C[5,5,6]2)(CN)2	C(CC[5,5]C)(N)	C(CC[5,5]C)(N)	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,5,6]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,5,6]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	119.0790	0.000	1	119.0790	0.000	1	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,5]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,5]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	111.9315	0.986	2	111.9315	0.973	2	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,5a]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,5a]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	116.5490	0.787	9	116.5490	0.620	9	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,5a]C[5,6a])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,5a]C[5,6a])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	116.6650	0.000	1	116.6650	0.000	1	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,5a]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,5a]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	117.1190	0.000	1	117.1190	0.000	1	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,6a]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,6a]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	112.2002	2.114	20	112.2002	4.468	20	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,6a]C[5,5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,6a]C[5,5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	114.5670	0.238	2	114.5670	0.056	2	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,6a]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,6a]C[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	113.1662	1.473	32	113.1662	2.170	32	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5,6a]N[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5,6a]N[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	116.4080	0.000	1	116.4080	0.000	1	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	114.5776	2.027	11	114.5776	4.108	11	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5]N[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5]N[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	113.2560	0.000	1	113.2560	0.000	1	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]C[5]O[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]C[5]O[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	116.8490	1.479	38	116.8490	2.189	38	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]N[5]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]N[5]2)(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	116.4327	0.816	4	116.4327	0.665	4	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5]N[5]S[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	C(C[5]N[5]S[5])(CN)2	C(CC[5]C)(N)	C(CC[5]C)(N)	115.4116	0.997	9	115.4116	0.994	9	114.8094	5.810	132	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5a]C[5a,6a]C[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	C(C[5a]C[5a,6a]C[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	113.2310	1.868	2	113.2310	3.490	2	116.6082	5.896	37	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5a]C[5a,6a]N[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	C(C[5a]C[5a,6a]N[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	111.9445	0.530	4	111.9445	0.280	4	116.6082	5.896	37	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5a]C[5a]N[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	C(C[5a]C[5a]N[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	114.9285	1.815	2	114.9285	3.295	2	116.6082	5.896	37	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5a]C[5a]S[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	117.4339	1.643	21	117.4339	2.700	21	116.6082	5.896	37	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[5a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[5a]N[5a]S[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	C(C[5a]N[5a]S[5a])(CN)2	C(CC[5a]C)(N)	C(CC[5a]C)(N)	118.0370	0.806	8	118.0370	0.650	8	116.6082	5.896	37	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6,6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6,6]C[3x6]C[6,6])(CN)2	C(CC[6,6]C)(N)	C(CC[6,6]C)(N)	C(C[6,6]C[3x6]C[6,6])(CN)2	C(CC[6,6]C)(N)	C(CC[6,6]C)(N)	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]C[5a,6]C[6])(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]C[5a,6]C[6])(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	114.8473	0.410	3	114.8473	0.168	3	115.3084	4.343	78	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]C[6,6a]2)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]C[6,6a]2)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	110.7550	1.620	4	110.7550	2.625	4	115.3084	4.343	78	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]C[6,6a]C[6])(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]C[6,6a]C[6])(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	113.3965	1.170	18	113.3965	1.369	18	115.3084	4.343	78	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]C[6]2)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]C[6]2)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	116.3043	1.316	49	116.3043	1.732	49	115.3084	4.343	78	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]C[6]N[6])(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]C[6]N[6])(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	115.6517	1.420	3	115.6517	2.017	3	115.3084	4.343	78	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]S[6]2)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]S[6]2)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	119.4880	0.000	1	119.4880	0.000	1	115.3084	4.343	78	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6a]C[5a,6a]2)(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	C(C[6a]C[5a,6a]2)(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	111.8847	1.720	4	111.8847	2.957	4	115.0688	2.782	561	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6a]C[5a,6a]C[6a])(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	C(C[6a]C[5a,6a]C[6a])(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	113.9560	0.727	3	113.9560	0.528	3	115.0688	2.782	561	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6a]C[6a,6a]2)(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	C(C[6a]C[6a,6a]2)(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	112.8736	0.617	12	112.8736	0.381	12	115.0688	2.782	561	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6a]C[6a,6a]C[6a])(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	C(C[6a]C[6a,6a]C[6a])(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	113.2430	0.000	1	113.2430	0.000	1	115.0688	2.782	561	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	115.1621	1.633	535	115.1621	2.666	535	115.0688	2.782	561	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CN)2	C(CC[6a]C)(N)	C(CC[6a]C)(N)	114.1248	0.954	6	114.1248	0.910	6	115.0688	2.782	561	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	N-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(NCO)(CN)2	C(CCN)(N)	C(CCN)(N)	C(NCO)(CN)2	C(CCN)(N)	C(CCN)(N)	118.9350	0.000	1	118.9350	0.000	1	121.7671	1.635	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	N-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(NCeO)(CN)2	C(CCN)(N)	C(CCN)(N)	C(NCeO)(CN)2	C(CCN)(N)	C(CCN)(N)	121.6260	0.000	1	121.6260	0.000	1	121.7671	1.635	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	N-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(NGdO)(CN)2	C(CCN)(N)	C(CCN)(N)	C(NGdO)(CN)2	C(CCN)(N)	C(CCN)(N)	121.8190	0.000	1	121.8190	0.000	1	121.7671	1.635	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	N-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(NLaO)(CN)2	C(CCN)(N)	C(CCN)(N)	C(NLaO)(CN)2	C(CCN)(N)	C(CCN)(N)	121.6010	0.000	1	121.6010	0.000	1	121.7671	1.635	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	N-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(NNdO)(CN)2	C(CCN)(N)	C(CCN)(N)	C(NNdO)(CN)2	C(CCN)(N)	C(CCN)(N)	121.9310	0.000	1	121.9310	0.000	1	121.7671	1.635	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:1:	3:1:	N-3:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(NOO)(CN)2	C(CCN)(N)	C(CCN)(N)	C(NOO)(CN)2	C(CCN)(N)	C(CCN)(N)	122.7417	0.497	3	122.7417	0.247	3	121.7671	1.635	8	115.3668	3.972	1258	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:	C-3:N-1:	C(CCC)(CC)(CN)	C(CCC)(COs)	C(CCC)(N)	C(CCC)(CC)(CN)	C(CCC)(COs)	C(CCC)(N)	116.4590	0.000	1	116.4590	0.000	1	117.4368	0.929	6	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:	C-3:N-1:	C(CCC)(CC)(CN)	C(CCC)(CRu)	C(CCC)(N)	C(CCC)(CC)(CN)	C(CCC)(CRu)	C(CCC)(N)	117.6324	0.935	5	117.6324	0.874	5	117.4368	0.929	6	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(NFe)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(NFe)	C(CCC)(N)	117.2160	0.000	1	117.2160	0.000	1	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(NMn)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(NMn)	C(CCC)(N)	116.7750	0.000	1	116.7750	0.000	1	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(NRu)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(NRu)	C(CCC)(N)	116.8110	0.000	1	116.8110	0.000	1	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(NW)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(NW)	C(CCC)(N)	117.5490	0.000	1	117.5490	0.000	1	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCO)(CN)2	C(CCC)(NFe)	C(CCC)(N)	C(CCO)(CN)2	C(CCC)(NFe)	C(CCC)(N)	116.2615	0.661	6	116.2615	0.436	6	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCO)(CN)2	C(CCC)(NMo)	C(CCC)(N)	C(CCO)(CN)2	C(CCC)(NMo)	C(CCC)(N)	120.4130	0.000	1	120.4130	0.000	1	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CCS)(CN)2	C(CCC)(NFe)	C(CCC)(N)	C(CCS)(CN)2	C(CCC)(NFe)	C(CCC)(N)	114.9435	0.981	2	114.9435	0.962	2	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(COO)(CN)2	C(CCC)(NCu)	C(CCC)(N)	C(COO)(CN)2	C(CCC)(NCu)	C(CCC)(N)	116.9700	0.410	2	116.9700	0.168	2	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(CRuC)(CN)2	C(CCC)(NRu)	C(CCC)(N)	C(CRuC)(CN)2	C(CCC)(NRu)	C(CCC)(N)	117.4160	0.000	1	117.4160	0.000	1	116.7235	1.738	16	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:1:	C[6a]-3:C-2:C-2:	C-3:N-2:	C-3:N-1:	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(NCu)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(NCu)	C(CC[6a]C)(N)	117.0800	0.878	2	117.0800	0.771	2	117.0800	0.771	2	116.9315	1.468	24	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CAu)	C(CCC)(CAu)	C(CCC)(CC)2	C(CCC)(CAu)	C(CCC)(CAu)	120.3410	0.000	1	120.3410	0.000	1	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CC)	C(CCC)(CC)	C(CCC)(CC)2	C(CCC)(CC)	C(CCC)(CC)	113.9914	3.315	7	113.9914	10.986	7	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CCo)	C(CCC)(CC)	C(CCC)(CC)2	C(CCC)(CCo)	C(CCC)(CC)	112.4970	0.000	2	112.4970	0.000	2	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CCo)	C(CCC)(CCo)	C(CCC)(CC)2	C(CCC)(CCo)	C(CCC)(CCo)	115.1410	0.039	4	115.1410	0.002	4	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CCo)	C(CCC)(CH)	C(CCC)(CC)2	C(CCC)(CCo)	C(CCC)(CH)	115.4610	0.000	1	115.4610	0.000	1	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CRu)	C(CCC)(CC)	C(CCC)(CC)2	C(CCC)(CRu)	C(CCC)(CC)	116.8300	0.000	1	116.8300	0.000	1	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CSi)	C(CCC)(CSi)	C(CCC)(CC)2	C(CCC)(CSi)	C(CCC)(CSi)	116.9770	1.339	2	116.9770	1.794	2	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CC[6a]2)(CC)2	C(CCC)(CRu)	C(CCC)(CH)	C(CC[6a]2)(CC)2	C(CCC)(CRu)	C(CCC)(CH)	114.7470	0.000	1	114.7470	0.000	1	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CC[6a]2)(CC)2	C(CCC)(CSi)	C(CCC)(CSi)	C(CC[6a]2)(CC)2	C(CCC)(CSi)	C(CCC)(CSi)	115.9120	0.000	1	115.9120	0.000	1	115.0371	6.748	20	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-2:	C(CCC)(CN)2	C(CCC)(NFe)	C(CCC)(NFe)	C(CCC)(CN)2	C(CCC)(NFe)	C(CCC)(NFe)	115.3589	0.074	8	115.3589	0.005	8	115.5444	0.315	9	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C-3:C-2:C-2:	C-3:N-2:	C-3:N-2:	C(CNO)(CN)2	C(CCC)(NCu)	C(CCC)(NCu)	C(CNO)(CN)2	C(CCC)(NCu)	C(CCC)(NCu)	117.0290	0.000	1	117.0290	0.000	1	115.5444	0.315	9	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[5]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[5]C[5,6a]2)(CC)2	C(CC[5]C)(CC[6a])	C(CC[5]C)(CC[6a])	C(C[5]C[5,6a]2)(CC)2	C(CC[5]C)(CC[6a])	C(CC[5]C)(CC[6a])	114.1230	0.351	2	114.1230	0.123	2	115.6532	10.401	6	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[5]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[5]C[5,6a]2)(CC)2	C(CC[5]C)(CSi)	C(CC[5]C)(CSi)	C(C[5]C[5,6a]2)(CC)2	C(CC[5]C)(CSi)	C(CC[5]C)(CSi)	113.1445	1.385	2	113.1445	1.919	2	115.6532	10.401	6	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[5]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[5]S[5]2)(CC)2	C(CC[5]C)(CC[6a])	C(CC[5]C)(CC[6a])	C(C[5]S[5]2)(CC)2	C(CC[5]C)(CC[6a])	C(CC[5]C)(CC[6a])	119.6920	0.267	2	119.6920	0.071	2	115.6532	10.401	6	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[5a]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[5a]C[5a,6a]C[5a])(CC)2	C(CC[5a]C)(CC)	C(CC[5a]C)(CC)	C(C[5a]C[5a,6a]C[5a])(CC)2	C(CC[5a]C)(CC)	C(CC[5a]C)(CC)	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[6a]C[6a,6a]2)(CC)2	C(CC[6a]C)(CC[6a])	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a,6a]2)(CC)2	C(CC[6a]C)(CC[6a])	C(CC[6a]C)(CC[6a])	114.1398	0.832	8	114.1398	0.693	8	117.0294	4.807	34	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[6a]C[6a,6a]2)(CC)2	C(CC[6a]C)(CSi)	C(CC[6a]C)(CSi)	C(C[6a]C[6a,6a]2)(CC)2	C(CC[6a]C)(CSi)	C(CC[6a]C)(CSi)	112.8785	0.418	2	112.8785	0.175	2	117.0294	4.807	34	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[6a]C[6a]2)(CC)2	C(CC[6a]C)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CC[6a]C)(CC)	C(CC[6a]C)(CC)	118.3980	0.649	23	118.3980	0.421	23	117.0294	4.807	34	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(C[6a]C[6a]2)(CC)2	C(CC[6a]C)(CSi)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CC[6a]C)(CSi)	C(CC[6a]C)(CC)	116.9700	0.000	1	116.9700	0.000	1	117.0294	4.807	34	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:C-2:	C-3:N-2:	C-3:N-2:	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(NRe)	C(CC[6a]C)(NRe)	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(NRe)	C(CC[6a]C)(NRe)	115.1060	0.000	1	115.1060	0.000	1	114.0740	0.800	3	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:C-2:	C-3:N-2:	C-3:N-2:	C(C[6a]C[6a]N[6a])(CN)2	C(CC[6a]C)(NLi)	C(CC[6a]C)(NLi)	C(C[6a]C[6a]N[6a])(CN)2	C(CC[6a]C)(NLi)	C(CC[6a]C)(NLi)	113.5580	0.047	2	113.5580	0.002	2	114.0740	0.800	3	116.0654	5.721	73	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:	C-3:H-1:	C(COO)(CC)(CH)	C(CCC)(CHH)	C(CCC)(H)	C(COO)(CC)(CH)	C(CCC)(CHH)	C(CCC)(H)	121.3140	0.000	1	121.3140	0.000	1	121.3140	0.000	1	118.5780	3.625	4	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	3:2:2:	3:3:	3:1:	C[6a]-3:C-2:C-2:	C[6]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6])(CN)	C(C[6]C[6]2)(CC[6a]C)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6])(CN)	C(C[6]C[6]2)(CC[6a]C)	C(CC[6a]C)(N)	117.6660	0.669	3	117.6660	0.447	3	117.6660	0.447	3	118.5780	3.625	4	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	4:2:2:	2:3:	3:3:	C-4:C-2:C-2:	C-2:C-3:	C-3:C-3:	C(CC3)(CC)2	C(CC[6a])(CCC)	C(CCC)2	C(CC3)(CC)2	C(CC[6a])(CCC)	C(CCC)2	120.7657	1.184	4	120.7657	1.401	4	120.7657	1.401	4	120.7657	1.401	4	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	4:2:2:	3:1:	3:1:	C[6]-4:C-2:C-2:	C-3:N-1:	C-3:N-1:	C(C[6]C[6,6a]N[6]H)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	C(C[6]C[6,6a]N[6]H)(CN)2	C(CC[6]C)(N)	C(CC[6]C)(N)	118.1790	0.190	2	118.1790	0.036	2	118.1790	0.036	2	118.1790	0.036	2	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	4:2:2:	3:2:	3:2:	C-4:C-2:C-2:	C-3:C-2:	C-3:C-2:	C(CCHH)(CC)2	C(CCC)(CC)	C(CCC)(CC)	C(CCHH)(CC)2	C(CCC)(CC)	C(CCC)(CC)	119.8730	0.849	6	119.8730	0.721	6	119.8730	0.721	6	119.8730	0.721	6	115.9940	6.209	1561	115.9940	6.209	1561
930	983	983	0:SP2_SP1_SP1	C	C	C	4:2:2:	3:3:	3:1:	C[3]-4:C-2:C-2:	C-3:C-3:	C-3:N-1:	C(C[3]C[3]2H)(CC)(CN)	C(CC[6a]C)(CC[3]C)	C(CC[3]C)(N)	C(C[3]C[3]2H)(CC)(CN)	C(CC[6a]C)(CC[3]C)	C(CC[3]C)(N)	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	115.9940	6.209	1561	115.9940	6.209	1561
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6]C[6]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CC[6]P)	P(C[6a]C[6a]2)2(CC[6]C)(O)	C(C[6]C[6]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CC[6]P)	P(C[6a]C[6a]2)2(CC[6]C)(O)	119.6863	0.272	3	119.6863	0.074	3	119.6863	0.074	3	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]2)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]2)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	117.4700	0.000	1	117.4700	0.000	1	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]C)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]C)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	117.0530	0.000	1	117.0530	0.000	1	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]H)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]H)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	118.6960	0.000	1	118.6960	0.000	1	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	119.3690	0.000	1	119.3690	0.000	1	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CC[6]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CC[6]P)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	117.6520	0.143	3	117.6520	0.020	3	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CHH)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CHH)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	116.5080	0.000	1	116.5080	0.000	1	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CHP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CHP)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	120.7435	0.766	2	120.7435	0.586	2	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:1:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)2	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)2	P(C[6a]C[6a]2)2(CC[6a]C)(O)	118.1114	1.945	9	118.1114	3.784	9	118.2391	2.839	19	118.4364	2.699	22	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	3:4:2:	3:3:	3:3:3:3:	C[6a]-3:P-4:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CC)	C(CC[6a]Mn)(CC[6a]P)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CC)	C(CC[6a]Mn)(CC[6a]P)	P(C[6a]C[6a]2)3(CC[6a]C)	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:2:1:	3:3:	3:4:3:1:	P-4:C-2:H-1:	C-3:C-3:	C[6a]-3:C[6]-4:C-3:O-1:	C(PC[6a]C[6]O)(CC)(H)	C(CC[6a]P)(CHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	C(PC[6a]C[6]O)(CC)(H)	C(CC[6a]P)(CHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	118.4405	0.397	2	118.4405	0.157	2	118.4405	0.157	2	118.4405	0.157	2	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	2:3:	3:3:3:3:	P-4:C-3:C-2:	C-2:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]C)(CC)	C(CC[6a])(CCP)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]C)(CC)	C(CC[6a])(CCP)	P(C[6a]C[6a]2)3(CCC)	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:1:	3:3:3:3:	P-4:C-3:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(CN)	C(CCP)(N)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)(CN)	C(CCP)(N)	P(C[6a]C[6a]2)3(CCC)	120.2600	0.000	1	120.2600	0.000	1	120.2995	0.003	2	117.3134	5.078	14	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:1:	3:3:3:3:	P-4:C-3:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)(CN)	C(CCP)(N)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COO)(CN)	C(CCP)(N)	P(C[6a]C[6a]2)3(CCC)	120.3390	0.000	1	120.3390	0.000	1	120.2995	0.003	2	117.3134	5.078	14	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:1:	3:3:3:3:	P-4:P-3:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PCC)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PCC)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	116.2801	1.296	8	116.2801	1.681	8	116.8157	4.110	12	117.3134	5.078	14	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:1:	3:3:3:3:	P-4:P-3:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PC[6a]C)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PC[6a]C)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	117.8868	2.975	4	117.8868	8.853	4	116.8157	4.110	12	117.3134	5.078	14	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:2:	3:3:3:3:	P-4:C-3:C-2:	C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CBC)(CC)	C(CCP)(CC)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CBC)(CC)	C(CCP)(CC)	P(C[6a]C[6a]2)3(CCC)	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:2:	4:4:3:1:	P-4:C-3:C-2:	C-3:C-2:	C-4:C-4:C-3:H-1:	C(PCCH)(CBC)(CC)	C(CCP)(CC)	P(CC3)2(CCC)(H)	C(PCCH)(CBC)(CC)	C(CCP)(CC)	P(CC3)2(CCC)(H)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:3:2:	3:3:	3:3:3:1:	P-4:C-3:C-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6a]C)(CC)	C(CC[6a]P)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6a]C)(CC)	C(CC[6a]P)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:1:	3:3:3:3:	B-4:P-4:C-2:	C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(PC[6a]3)(CO)	C(CBP)(O)	P(C[6a]C[6a]2)3(CBC)	C(BC[6a]3)(PC[6a]3)(CO)	C(CBP)(O)	P(C[6a]C[6a]2)3(CBC)	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	114.9601	8.887	7	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:1:	3:3:3:3:	P-4:P-4:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6]AuC)(PC[6a]3)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	C(PC[6]AuC)(PC[6a]3)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	117.8550	1.592	2	117.8550	2.536	2	115.6997	6.071	6	114.9601	8.887	7	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:1:	3:3:3:3:	P-4:P-4:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PAuCC)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PAuCC)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	114.1880	2.410	3	114.1880	5.810	3	115.6997	6.071	6	114.9601	8.887	7	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:1:	3:3:3:3:	P-4:P-4:C-2:	C-3:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]HW)(PC[6a]3)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]HW)(PC[6a]3)(CN)	C(CPP)(N)	P(C[6a]C[6a]2)3(CCP)	115.9240	0.000	1	115.9240	0.000	1	115.6997	6.071	6	114.9601	8.887	7	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:2:	3:3:2:3:	P-4:P-4:C-2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)2(CN)	C(CPP)(NB)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	C(PC[6a]2N)2(CN)	C(CPP)(NB)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:2:	3:3:3:2:	P-4:P-4:C-2:	C-3:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CN)	C(CPP)(NC)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CN)	C(CPP)(NC)	P(C[6a]C[6a]2)2(CCP)(NSi)	118.6232	0.305	4	118.6232	0.093	4	118.6232	0.093	4	118.6232	0.093	4	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:2:	3:3:3:3:	P-4:P-4:C-2:	C-3:N-2:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(CN)	C(CPP)(NB)	P(C[6a]C[6a]2)2(NC[6a]H)(CCP)	C(PC[6a]2N)2(CN)	C(CPP)(NB)	P(C[6a]C[6a]2)2(NC[6a]H)(CCP)	116.1590	0.000	1	116.1590	0.000	1	116.1590	0.000	1	116.1590	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:2:	4:4:4:3:	C-4:P-4:C-2:	C-3:C-2:	C-4:C-4:C-4:C-3:	C(CCHH)(PC3)(CC)	C(CCP)(CC)	P(CC3)3(CCC)	C(CCHH)(PC3)(CC)	C(CCP)(CC)	P(CC3)3(CCC)	119.8015	1.621	2	119.8015	2.629	2	118.5583	5.951	3	118.5583	5.951	3	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:2:	4:4:4:3:	C-4:P-4:C-2:	C-3:C-2:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(CC)	C(CCP)(CC)	P(CC3)3(CCC)	C(CH3)(PC3)(CC)	C(CCP)(CC)	P(CC3)3(CCC)	116.0720	0.000	1	116.0720	0.000	1	118.5583	5.951	3	118.5583	5.951	3	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:3:	3:2:1:1:	P-4:P-4:C-2:	C-3:C-3:	C-3:O-2:O-1:O-1:	C(PO3)2(CC)	C(CCC)(CPP)	P(CCP)(OH)(O)2	C(PO3)2(CC)	C(CCC)(CPP)	P(CCP)(OH)(O)2	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	983	992	0:SP2_SP1_SP3	C	C	P	4:4:2:	3:3:	4:4:4:3:	C-4:P-4:C-2:	C-3:C-3:	C-4:C-4:C-4:C-3:	C(CCHH)(PC3)(CC)	C(CCO)(CCP)	P(CCHH)(CC3)2(CCC)	C(CCHH)(PC3)(CC)	C(CCO)(CCP)	P(CCHH)(CC3)2(CCC)	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	117.3217	6.326	61	117.3217	6.326	61
930	984	992	0:SP2_SP-NON_SP3	C	Ga	P	4:4:3:	3:1:1:1:	3:3:3:3:	P-4:Ga-4:C-3:	C-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(GaCl3)(CNO)	Ga(CCP)(Cl)3	P(C[6a]C[6a]2)3(CGaC)	C(PC[6a]3)(GaCl3)(CNO)	Ga(CCP)(Cl)3	P(C[6a]C[6a]2)3(CGaC)	117.9025	1.804	2	117.9025	3.254	2	118.4413	2.498	3	118.4413	2.498	3	118.4529	3.097	9	118.4529	3.097	9
930	984	992	0:SP2_SP-NON_SP3	C	Ga	P	4:4:3:	3:1:1:1:	3:3:3:3:	P-4:Ga-4:C-3:	C-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(GaCl3)(COO)	Ga(CCP)(Cl)3	P(C[6a]C[6a]2)3(CGaC)	C(PC[6a]3)(GaCl3)(COO)	Ga(CCP)(Cl)3	P(C[6a]C[6a]2)3(CGaC)	119.5190	0.000	1	119.5190	0.000	1	118.4413	2.498	3	118.4413	2.498	3	118.4529	3.097	9	118.4529	3.097	9
930	984	992	0:SP2_SP-NON_SP3	C	Ga	P	4:4:4:	3:1:1:1:	3:3:3:3:	P-4:P-4:Ga-4:	C-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(GaCl3)	Ga(CPP)(Cl)3	P(C[6a]C[6a]2)3(CGaP)	C(PC[6a]3)2(GaCl3)	Ga(CPP)(Cl)3	P(C[6a]C[6a]2)3(CGaP)	118.0855	2.334	2	118.0855	5.448	2	118.0855	5.448	2	118.4038	2.926	4	118.4529	3.097	9	118.4529	3.097	9
930	984	992	0:SP2_SP-NON_SP3	C	Ga	P	4:4:4:	3:1:1:1:	3:3:3:3:	P-4:P-4:Ga-4:	C-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C(PC[6a]2N[6])2(GaCl3)	Ga(CPP)(Cl)3	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	C(PC[6a]2N[6])2(GaCl3)	Ga(CPP)(Cl)3	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	118.7220	1.710	2	118.7220	2.923	2	118.7220	2.923	2	118.4038	2.926	4	118.4529	3.097	9	118.4529	3.097	9
930	984	992	0:SP2_SP-NON_SP3	C	Ga	P	4:4:4:	4:4:4:3:	3:3:3:3:	P-4:P-4:Ga-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(GaC3)	Ga(CH3)3(CPP)	P(C[6a]C[6a]2)3(CGaP)	C(PC[6a]3)2(GaC3)	Ga(CH3)3(CPP)	P(C[6a]C[6a]2)3(CGaP)	118.5685	3.311	2	118.5685	10.965	2	118.5685	10.965	2	118.5685	10.965	2	118.4529	3.097	9	118.4529	3.097	9
930	992	992	0:SP2_SP3_SP3	C	P	P	3:4:4:	3:3:3:1:	3:3:3:1:	C[6]-3:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6]C[6,6a]O[6])(PC[6a]2O)2	P(C[6a]C[6a]2)2(CC[6]P)(O)	P(C[6a]C[6a]2)2(CC[6]P)(O)	C(C[6]C[6,6a]O[6])(PC[6a]2O)2	P(C[6a]C[6a]2)2(CC[6]P)(O)	P(C[6a]C[6a]2)2(CC[6]P)(O)	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	3:4:4:	3:3:3:3:	3:3:3:3:	P-3:P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]Cl)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]Cl)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:2:3:	3:3:2:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	129.6780	3.830	3	129.6780	14.672	3	129.6780	14.672	3	127.6799	10.716	7	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:2:3:	3:3:2:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeHg)(CHP)	P(C[6a]C[6a]2)2(SeHg)(CHP)	C(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeHg)(CHP)	P(C[6a]C[6a]2)2(SeHg)(CHP)	126.1945	3.400	2	126.1945	11.563	2	126.1813	4.663	4	127.6799	10.716	7	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:2:3:	3:3:2:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeLi)(CHP)	P(C[6a]C[6a]2)2(SeLi)(CHP)	C(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeLi)(CHP)	P(C[6a]C[6a]2)2(SeLi)(CHP)	127.2690	0.000	1	127.2690	0.000	1	126.1813	4.663	4	127.6799	10.716	7	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:2:3:	3:3:2:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeZn)(CHP)	P(C[6a]C[6a]2)2(SeZn)(CHP)	C(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeZn)(CHP)	P(C[6a]C[6a]2)2(SeZn)(CHP)	125.0670	0.000	1	125.0670	0.000	1	126.1813	4.663	4	127.6799	10.716	7	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:1:	3:3:3:1:	P-4:P-4:Se-1:	C[6a]-3:C[6a]-3:C-3:Se-1:	C[6a]-3:C[6a]-3:C-3:Se-1:	C(PC[6a]2Se)2(Se)	P(C[6a]C[6a]2)2(CSeP)(Se)	P(C[6a]C[6a]2)2(CSeP)(Se)	C(PC[6a]2Se)2(Se)	P(C[6a]C[6a]2)2(CSeP)(Se)	P(C[6a]C[6a]2)2(CSeP)(Se)	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:2:	3:3:3:2:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:O-2:	C(PC[6a]2O)2(H)	P(C[6a]C[6a]2)2(CHP)(OAl)	P(C[6a]C[6a]2)2(CHP)(OAl)	C(PC[6a]2O)2(H)	P(C[6a]C[6a]2)2(CHP)(OAl)	P(C[6a]C[6a]2)2(CHP)(OAl)	129.3740	0.000	1	129.3740	0.000	1	129.3740	0.000	1	127.8443	1.828	3	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:2:	3:3:3:2:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:S-2:	C(PC[6a]2S)2(H)	P(C[6a]C[6a]2)2(CHP)(SLi)	P(C[6a]C[6a]2)2(CHP)(SLi)	C(PC[6a]2S)2(H)	P(C[6a]C[6a]2)2(CHP)(SLi)	P(C[6a]C[6a]2)2(CHP)(SLi)	127.0795	0.383	2	127.0795	0.146	2	127.0795	0.146	2	127.8443	1.828	3	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:1:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2N)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NFeC)(CHP)	P(C[6a]C[6a]2)2(CHP)(S)	C(PC[6a]2N)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NFeC)(CHP)	P(C[6a]C[6a]2)2(CHP)(S)	120.5950	0.783	4	120.5950	0.613	4	120.5950	0.613	4	120.5950	0.613	4	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:2:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(CHP)(NCH)	P(C[6a]C[6a]2)2(CHP)(NC)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(CHP)(NCH)	P(C[6a]C[6a]2)2(CHP)(NC)	127.5390	0.000	1	127.5390	0.000	1	127.5390	0.000	1	127.5390	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(Cl)	P(C[6a]C[6a]2)3(CClP)	P(C[6a]C[6a]2)3(CClP)	C(PC[6a]3)2(Cl)	P(C[6a]C[6a]2)3(CClP)	P(C[6a]C[6a]2)3(CClP)	129.1120	0.000	1	129.1120	0.000	1	129.1120	0.000	1	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(H)	P(C[6a]C[6a]2)3(CHP)	P(C[6a]C[6a]2)3(CHP)	C(PC[6a]3)2(H)	P(C[6a]C[6a]2)3(CHP)	P(C[6a]C[6a]2)3(CHP)	128.6850	0.127	2	128.6850	0.016	2	128.6850	0.016	2	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]Al)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CHP)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]Al)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CHP)	125.6000	0.000	1	125.6000	0.000	1	126.4342	31.936	5	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]Be)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Be)(CHP)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]Be)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Be)(CHP)	129.5320	0.000	1	129.5320	0.000	1	126.4342	31.936	5	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	133.6460	0.000	1	133.6460	0.000	1	126.4342	31.936	5	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]Cr)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Cr)(CHP)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NC[6a]Cr)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Cr)(CHP)	118.4910	0.000	1	118.4910	0.000	1	126.4342	31.936	5	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:3:3:	3:3:3:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NSiZn)(CHP)	P(C[6a]C[6a]2)2(NSiZn)(CHP)	C(PC[6a]2N)2(H)	P(C[6a]C[6a]2)2(NSiZn)(CHP)	P(C[6a]C[6a]2)2(NSiZn)(CHP)	124.9020	0.000	1	124.9020	0.000	1	126.4342	31.936	5	127.3316	19.803	8	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	3:3:4:3:	3:3:4:3:	P-4:P-4:H-1:	C[6a]-3:C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:B-4:C-3:	C(PC[6a]2B)2(H)	P(C[6a]C[6a]2)2(BH3)(CHP)	P(C[6a]C[6a]2)2(BH3)(CHP)	C(PC[6a]2B)2(H)	P(C[6a]C[6a]2)2(BH3)(CHP)	P(C[6a]C[6a]2)2(BH3)(CHP)	129.5100	0.000	1	129.5100	0.000	1	129.5100	0.000	1	129.5100	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	4:3:3:3:	3:3:3:2:	P-4:P-4:Ge-1:	Ge[5,5]-4:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PGe[5,5]C[6a]2)(PC[6a]2N)(Ge)	P(Ge[5,5]Ge[5,5]C[5]2)(C[6a]C[6a]2)2(CGeP)	P(C[6a]C[6a]2)2(CGeP)(NSi)	C(PGe[5,5]C[6a]2)(PC[6a]2N)(Ge)	P(Ge[5,5]Ge[5,5]C[5]2)(C[6a]C[6a]2)2(CGeP)	P(C[6a]C[6a]2)2(CGeP)(NSi)	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:1:	4:4:2:3:	4:4:2:3:	P-4:P-4:H-1:	C-4:C-4:Se-2:C-3:	C-4:C-4:Se-2:C-3:	C(PSeCC)2(H)	P(CCCH)2(SeLi)(CHP)	P(CCCH)2(SeLi)(CHP)	C(PSeCC)2(H)	P(CCCH)2(SeLi)(CHP)	P(CCCH)2(SeLi)(CHP)	133.6020	0.000	1	133.6020	0.000	1	133.6020	0.000	1	133.6020	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:2:	3:2:1:1:	3:2:1:1:	P-4:P-4:C-2:	C-3:O-2:O-1:O-1:	C-3:O-2:O-1:O-1:	C(PO3)2(CC)	P(CCP)(OH)(O)2	P(CCP)(OH)(O)2	C(PO3)2(CC)	P(CCP)(OH)(O)2	P(CCP)(OH)(O)2	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:2:	3:3:3:2:	3:3:3:2:	P-4:P-4:C-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CN)	P(C[6a]C[6a]2)2(CCP)(NSi)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CN)	P(C[6a]C[6a]2)2(CCP)(NSi)	P(C[6a]C[6a]2)2(CCP)(NSi)	122.3235	0.333	2	122.3235	0.111	2	122.3235	0.111	2	122.5620	0.226	3	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:2:	3:3:3:2:	3:3:3:2:	P-4:P-4:Se-2:	C[6a]-3:C[6a]-3:C-3:Se-2:	C[6a]-3:C[6a]-3:C-3:Se-2:	C(PC[6a]2Se)2(SeSn)	P(C[6a]C[6a]2)2(CSeP)(SeSn)	P(C[6a]C[6a]2)2(CSeP)(SeSn)	C(PC[6a]2Se)2(SeSn)	P(C[6a]C[6a]2)2(CSeP)(SeSn)	P(C[6a]C[6a]2)2(CSeP)(SeSn)	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	122.5620	0.226	3	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:2:	3:3:3:3:	3:3:2:3:	P-4:P-4:C-2:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)2(CN)	P(C[6a]C[6a]2)2(NC[6a]H)(CCP)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	C(PC[6a]2N)2(CN)	P(C[6a]C[6a]2)2(NC[6a]H)(CCP)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	127.0110	0.000	1	127.0110	0.000	1	127.0110	0.000	1	127.0110	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:2:	3:3:3:3:	3:3:3:2:	P-4:P-4:I-2:	C[6a]-3:C[6a]-3:S-3:C-3:	C[6a]-3:C[6a]-3:C-3:S-2:	C(PC[6a]2S)2(ILi)	P(C[6a]C[6a]2)2(SLi2)(CIP)	P(C[6a]C[6a]2)2(CIP)(SLi)	C(PC[6a]2S)2(ILi)	P(C[6a]C[6a]2)2(SLi2)(CIP)	P(C[6a]C[6a]2)2(CIP)(SLi)	123.8130	0.000	1	123.8130	0.000	1	123.8130	0.000	1	123.8130	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:2:	3:3:3:3:	3:3:3:3:	P-4:P-4:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(SC[6a])	P(C[6a]C[6a]2)3(CPS)	P(C[6a]C[6a]2)3(CPS)	C(PC[6a]3)2(SC[6a])	P(C[6a]C[6a]2)3(CPS)	P(C[6a]C[6a]2)3(CPS)	127.8960	0.000	1	127.8960	0.000	1	127.8960	0.000	1	127.8960	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:2:3:	3:3:2:3:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)(PC[6a]2N)(CRuN)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	P(C[6a]C[6a]2)2(SeRu)(CCP)	C(PC[6a]2Se)(PC[6a]2N)(CRuN)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	P(C[6a]C[6a]2)2(SeRu)(CCP)	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:2:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CC[6a]2)	P(C[6a]C[6a]2)2(CCP)(NSi)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CC[6a]2)	P(C[6a]C[6a]2)2(CCP)(NSi)	P(C[6a]C[6a]2)2(CCP)(NSi)	119.5560	0.059	2	119.5560	0.004	2	118.5647	2.950	3	124.0795	38.371	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:2:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CC[6a]H)	P(C[6a]C[6a]2)2(CCP)(NSi)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CC[6a]H)	P(C[6a]C[6a]2)2(CCP)(NSi)	P(C[6a]C[6a]2)2(CCP)(NSi)	116.5820	0.000	1	116.5820	0.000	1	118.5647	2.950	3	124.0795	38.371	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:2:	3:3:3:2:	P-4:P-4:Se-3:	C[6a]-3:C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:S-2:	C(PC[6a]2S)2(SeCu2)	P(C[6a]C[6a]2)2(CSeP)(SCu)	P(C[6a]C[6a]2)2(CSeP)(SCu)	C(PC[6a]2S)2(SeCu2)	P(C[6a]C[6a]2)2(CSeP)(SCu)	P(C[6a]C[6a]2)2(CSeP)(SCu)	129.3435	1.760	2	129.3435	3.098	2	129.3435	3.098	2	124.0795	38.371	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:2:	3:3:3:2:	P-4:P-4:Se-3:	C[6a]-3:C[6a]-3:C-3:Se-2:	C[6a]-3:C[6a]-3:C-3:Se-2:	C(PC[6a]2Se)2(SeHg2)	P(C[6a]C[6a]2)2(CSeP)(SeHg)	P(C[6a]C[6a]2)2(CSeP)(SeHg)	C(PC[6a]2Se)2(SeHg2)	P(C[6a]C[6a]2)2(CSeP)(SeHg)	P(C[6a]C[6a]2)2(CSeP)(SeHg)	130.0960	0.000	1	130.0960	0.000	1	130.0960	0.000	1	124.0795	38.371	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CC[6a]O)	P(C[6a]C[6a]2)2(NSiH)(CCP)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CC[6a]O)	P(C[6a]C[6a]2)2(NSiH)(CCP)	P(C[6a]C[6a]2)2(CCP)(NSi)	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	116.0805	19.725	2	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:S-2:	C(PC[6a]2N)(PC[6a]2S)(CNO)	P(C[6a]C[6a]2)2(NSiSn)(CCP)	P(C[6a]C[6a]2)2(CCP)(SSn)	C(PC[6a]2N)(PC[6a]2S)(CNO)	P(C[6a]C[6a]2)2(NSiSn)(CCP)	P(C[6a]C[6a]2)2(CCP)(SSn)	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	116.0805	19.725	2	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:3:	P-4:P-4:As-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(AsCl2)	P(C[6a]C[6a]2)3(CAsP)	P(C[6a]C[6a]2)3(CAsP)	C(PC[6a]3)2(AsCl2)	P(C[6a]C[6a]2)3(CAsP)	P(C[6a]C[6a]2)3(CAsP)	125.2100	0.000	1	125.2100	0.000	1	125.2100	0.000	1	127.8540	23.047	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:3:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(COO)	P(C[6a]C[6a]2)3(CCP)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)2(COO)	P(C[6a]C[6a]2)3(CCP)	P(C[6a]C[6a]2)3(CCP)	135.1970	0.000	1	135.1970	0.000	1	131.2390	31.332	2	127.8540	23.047	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:3:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(CSS)	P(C[6a]C[6a]2)3(CCP)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)2(CSS)	P(C[6a]C[6a]2)3(CCP)	P(C[6a]C[6a]2)3(CCP)	127.2810	0.000	1	127.2810	0.000	1	131.2390	31.332	2	127.8540	23.047	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:3:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(CNN)	P(C[6a]C[6a]2)2(NAlSi)(CCP)	P(C[6a]C[6a]2)2(NAlSi)(CCP)	C(PC[6a]2N)2(CNN)	P(C[6a]C[6a]2)2(NAlSi)(CCP)	P(C[6a]C[6a]2)2(NAlSi)(CCP)	132.1400	0.000	1	132.1400	0.000	1	132.1400	0.000	1	127.8540	23.047	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:3:3:3:	3:3:3:3:	P-4:P-4:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(PCl2)	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]3)2(PCl2)	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	123.6480	0.494	2	123.6480	0.244	2	123.6480	0.244	2	127.8540	23.047	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:1:	3:3:3:3:	P-4:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(O)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(O)	P(C[6a]C[6a]2)3(CPP)	118.4540	5.226	2	118.4540	27.306	2	118.4540	27.306	2	118.4540	27.306	2	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:2:	3:3:3:3:	P-4:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2C)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(CN)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2C)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(CN)	P(C[6a]C[6a]2)3(CPP)	119.2800	1.321	2	119.2800	1.745	2	119.2800	1.745	2	119.7013	1.649	4	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:2:	3:3:3:3:	P-4:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(OS)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(OS)	P(C[6a]C[6a]2)3(CPP)	120.1225	1.579	2	120.1225	2.493	2	120.1225	2.493	2	119.7013	1.649	4	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:3:	3:3:3:3:	P-4:P-4:Ga-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(GaC3)	P(C[6a]C[6a]2)3(CGaP)	P(C[6a]C[6a]2)3(CGaP)	C(PC[6a]3)2(GaC3)	P(C[6a]C[6a]2)3(CGaP)	P(C[6a]C[6a]2)3(CGaP)	122.8490	0.000	1	122.8490	0.000	1	123.3300	0.463	2	121.8255	2.319	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:3:	3:3:3:3:	P-4:P-4:Ga-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(GaCl3)	P(C[6a]C[6a]2)3(CGaP)	P(C[6a]C[6a]2)3(CGaP)	C(PC[6a]3)2(GaCl3)	P(C[6a]C[6a]2)3(CGaP)	P(C[6a]C[6a]2)3(CGaP)	123.8110	0.000	1	123.8110	0.000	1	123.3300	0.463	2	121.8255	2.319	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:3:	3:3:3:3:	P-4:P-4:Ga-4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C(PC[6a]2N[6])2(GaCl3)	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	C(PC[6a]2N[6])2(GaCl3)	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	122.5520	0.000	1	122.5520	0.000	1	122.5520	0.000	1	121.8255	2.319	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:3:	3:3:3:3:	P-4:P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2C)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2C)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	121.4400	0.000	1	121.4400	0.000	1	120.5803	0.712	3	121.8255	2.319	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	4:4:4:	3:3:3:3:	3:3:3:3:	P-4:P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	120.1505	0.562	2	120.1505	0.316	2	120.5803	0.712	3	121.8255	2.319	6	124.2937	23.319	64	124.2937	23.319	64
930	992	992	0:SP2_SP3_SP3	C	P	P	5:4:4:	3:3:3:3:	3:3:3:3:	P-5:P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2FF)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2FF)(PC[6a]3)2	P(C[6a]C[6a]2)3(CPP)	P(C[6a]C[6a]2)3(CPP)	124.0210	0.000	1	124.0210	0.000	1	124.0210	0.000	1	124.0210	0.000	1	124.2937	23.319	64	124.2937	23.319	64
931	466	542	0:SPD5_SP2_SP3	Si[5,5]	C[6]	N[5]	4:4:3:2:2:	5:4:4:1:	5:2:4:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	Si[5,5]-5:N[5]-2:C-4:	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1
931	466	976	0:SPD5_SP2_SP3	Si[5,5]	C[6]	O[5]	4:4:3:2:2:	5:4:4:1:	5:3:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	Si[5,5]-5:C[5]-3:	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	O[5](Si[5,5]C[6]N[5]2O[5])(C[5]N[5]C)	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	O[5](Si[5,5]C[6]N[5]2O[5])(C[5]N[5]C){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	97.4759	4.017	2	97.4759	16.133	2	97.4759	16.133	2	97.4759	16.133	2	97.4759	16.133	2	97.4759	16.133	2
931	466	999	0:SPD5_SP3_SP3	Si[5,5]	C[6]	N[5]	4:4:3:2:2:	5:4:4:1:	5:2:4:4:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	Si[5,5]-5:N[5]-2:C-4:C-4:	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1
931	474	474	0:SPD5_SP3_SP3	Si[5,5]	C[5]	C[5]	4:4:2:2:4:	5:3:1:1:	5:3:1:1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	122.7390	0.000	1	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6
931	474	474	0:SPD5_SP3_SP3	Si[5,5]	C[5]	C[5]	4:4:2:2:4:	5:3:1:1:	5:3:1:1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	124.8480	0.000	1	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6
931	474	474	0:SPD5_SP3_SP3	Si[5,5]	C[5]	C[5]	4:4:2:2:4:	5:3:1:1:	5:3:1:1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	122.6120	0.748	4	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6	123.0058	1.153	6
931	474	490	0:SPD5_SP3_SP3	Si[5,5]	C[5]	C	4:4:2:2:4:	5:3:1:1:	5:1:1:1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C(Si[5,5]C[5]2O[5]2)(H)3	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C(Si[5,5]C[5]2O[5]2)(H)3	118.1443	1.469	3	118.4908	3.309	12	118.4908	3.309	12	118.4908	3.309	12	118.4908	3.309	12	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5,5]	C[5]	C	4:4:2:2:4:	5:3:1:1:	5:1:1:1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C(Si[5,5]C[5]2O[5]2)(H)3	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	C(Si[5,5]C[5]2O[5]2)(H)3	118.6063	1.988	9	118.4908	3.309	12	118.4908	3.309	12	118.4908	3.309	12	118.4908	3.309	12	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:1:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	118.0445	0.118	2	118.0445	0.014	2	118.0445	0.014	2	121.8128	17.802	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:1:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	C(Si[5]C[5]O[5]ClC)(H)3	126.3990	0.091	2	126.3990	0.008	2	126.3990	0.008	2	121.8128	17.802	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:1:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	C(Si[5]C[5]O[5]CF)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	C(Si[5]C[5]O[5]CF)(Cl)(H)2	123.9260	0.000	1	123.9260	0.000	1	123.9260	0.000	1	121.8128	17.802	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:1:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	C(Si[5]C[5]O[5]CF)(H)3	118.0640	0.000	1	118.0640	0.000	1	118.0640	0.000	1	121.8128	17.802	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:1:	5:3:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:N[5]-3:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	C(Si[5]C[5]O[5]ClC)(H)3	120.3390	3.752	2	120.3390	14.077	2	120.3390	14.077	2	119.7340	6.080	4	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:1:	5:3:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[5]-3:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	C(Si[5]C[5]O[5]CF)(H)3	119.1290	1.643	2	119.1290	2.700	2	119.1290	2.700	2	119.7340	6.080	4	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:2:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-2:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	C(Si[5]C[5]O[5]CO)(H)3	120.4160	0.423	4	120.4160	0.179	4	120.4160	0.179	4	120.4160	0.179	4	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:3:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	C(Si[5]C[5]O[5]CO)(Cl)(H)2	119.1850	0.000	1	119.6425	0.419	2	119.6425	0.419	2	120.4235	3.155	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:3:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C(Si[5]C[5]O[5]CO)(Cl)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	C(Si[5]C[5]O[5]CO)(Cl)(H)2	120.1000	0.000	1	119.6425	0.419	2	119.6425	0.419	2	120.4235	3.155	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:3:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	122.2010	0.000	1	122.6075	0.330	2	120.8140	4.509	4	120.4235	3.155	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:3:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	123.0140	0.000	1	122.6075	0.330	2	120.8140	4.509	4	120.4235	3.155	6	120.7009	7.132	20	119.8721	6.727	32
931	474	490	0:SPD5_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:3:	3:5:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	119.0205	0.573	2	119.0205	0.329	2	120.8140	4.509	4	120.4235	3.155	6	120.7009	7.132	20	119.8721	6.727	32
931	474	790	0:SPD5_SP-NON_SP3	Si[5]	C[5]	Cl	4:2:4:4:1:	3:5:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	Cl(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	Cl(Si[5]C[5]O[5]CC)	86.4386	0.024	2	86.4386	0.001	2	86.4386	0.001	2	86.4386	0.001	2	86.7827	0.355	3	86.7827	0.355	3
931	474	790	0:SPD5_SP-NON_SP3	Si[5]	C[5]	Cl	4:2:4:4:1:	5:3:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:N[5]-3:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	Cl(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	Cl(Si[5]C[5]O[5]CC)	87.4708	0.000	1	87.4708	0.000	1	87.4708	0.000	1	87.4708	0.000	1	86.7827	0.355	3	86.7827	0.355	3
931	474	830	0:SPD5_SP-NON_SP3	Si[5]	C[5]	F	4:2:1:1:1:	3:5:1:1:	5:	C[5]-4:O[5]-2:F-1:F-1:F-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	F(Si[5]C[5]O[5]FF)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	F(Si[5]C[5]O[5]FF)	113.7946	16.765	3	113.7946	281.070	3	113.7946	281.070	3	113.7946	281.070	3	104.4598	304.496	5	104.4598	304.496	5
931	474	830	0:SPD5_SP-NON_SP3	Si[5]	C[5]	F	4:2:4:4:1:	3:5:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	F(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	F(Si[5]C[5]O[5]CC)	89.3824	0.000	1	89.3824	0.000	1	89.3824	0.000	1	89.3824	0.000	1	104.4598	304.496	5	104.4598	304.496	5
931	474	830	0:SPD5_SP-NON_SP3	Si[5]	C[5]	F	4:2:4:4:1:	5:3:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[5]-3:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	F(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	F(Si[5]C[5]O[5]CC)	91.5330	0.000	1	91.5330	0.000	1	91.5330	0.000	1	91.5330	0.000	1	104.4598	304.496	5	104.4598	304.496	5
931	474	871	0:SPD5_SP3_SP3	Si[3x5]	C[3x5]	O	4:2:2:2:3:	3:3:3:5:	5:1:1:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:O-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:Si[3x5]-5:	Si[3x5]-5:H-1:H-1:	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH)	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O)	O(Si[3x5]C[3x5]O[5]3)(H)2	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH){6|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O){3|H<1>,6|C<3>}	O(Si[3x5]C[3x5]O[5]3)(H)2	178.3050	0.000	1	178.3050	0.000	1	178.3050	0.000	1	178.3050	0.000	1	178.3050	0.000	1	110.4330	2049.638	4
931	474	871	0:SPD5_SP3_SP3	Si[5]	C[5]	O	4:2:4:4:3:	3:5:1:1:	5:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	O(Si[5]C[5]O[5]CC)(H)2	89.4580	0.000	1	87.6414	6.600	2	87.8090	3.384	3	87.8090	3.384	3	87.8090	3.384	3	110.4330	2049.638	4
931	474	871	0:SPD5_SP3_SP3	Si[5]	C[5]	O	4:2:4:4:3:	3:5:1:1:	5:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	O(Si[5]C[5]O[5]CC)(H)2	85.8249	0.000	1	87.6414	6.600	2	87.8090	3.384	3	87.8090	3.384	3	87.8090	3.384	3	110.4330	2049.638	4
931	474	871	0:SPD5_SP3_SP3	Si[5]	C[5]	O	4:2:4:4:3:	3:5:1:1:	5:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	O(Si[5]C[5]O[5]CC)(H)2	88.1441	0.000	1	88.1441	0.000	1	87.8090	3.384	3	87.8090	3.384	3	87.8090	3.384	3	110.4330	2049.638	4
931	474	893	0:SPD5_SP3_SP3	Si[5]	C[5]	O	4:2:4:4:2:	3:5:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:O-2:	N[5,6]-3:Si[5]-5:H-1:H-1:	Si[5]-5:S-4:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	O(Si[5]C[5]O[5]CC)(SCOO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	O(Si[5]C[5]O[5]CC)(SCOO)	86.6056	0.025	2	86.6056	0.001	2	86.6056	0.001	2	86.6056	0.001	2	86.6056	0.001	2	86.6056	0.001	2
931	474	976	0:SPD5_SP2_SP3	Si[5,5]	C[5]	O[5]	4:4:2:2:4:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	88.9381	0.549	3	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12
931	474	976	0:SPD5_SP2_SP3	Si[5,5]	C[5]	O[5]	4:4:2:2:4:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	89.4754	1.354	5	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12
931	474	976	0:SPD5_SP2_SP3	Si[5,5]	C[5]	O[5]	4:4:2:2:4:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){2|N<3>,3|C<3>,4|H<1>}	89.1162	0.942	4	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12	89.2213	1.019	12
931	474	976	5:SPD5_SP2_SP3	Si[3x5]	C[3x5]	O[5]	4:2:2:2:3:	3:3:3:5:	5:3:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:O-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:Si[3x5]-5:	Si[3x5]-5:C[5,6a]-3:	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH)	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O)	O[5](Si[3x5]C[3x5]O[5]2O)(C[5,6a]C[5,6a]C[6a])	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH){6|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O){3|H<1>,6|C<3>}	O[5](Si[3x5]C[3x5]O[5]2O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	92.4389	0.815	3	92.4389	0.664	3	92.4389	0.664	3	92.4389	0.664	3	92.4389	0.664	3	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5,5]	C[5]	O[5]	4:4:2:2:4:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	85.9248	0.529	3	85.6577	0.232	12	85.6577	0.232	12	85.6577	0.232	12	85.6577	0.232	12	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5,5]	C[5]	O[5]	4:4:2:2:4:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	85.6866	0.301	5	85.6577	0.232	12	85.6577	0.232	12	85.6577	0.232	12	85.6577	0.232	12	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5,5]	C[5]	O[5]	4:4:2:2:4:	5:3:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){2|N<3>,3|C<3>,4|H<1>}	85.4211	0.630	4	85.6577	0.232	12	85.6577	0.232	12	85.6577	0.232	12	85.6577	0.232	12	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:1:1:1:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:F-1:F-1:F-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]F3)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]F3){1|C<3>,1|C<4>,4|H<1>}	83.3031	0.000	1	83.3031	0.000	1	83.3031	0.000	1	83.3031	0.000	1	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:1:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC){2|C<3>,3|H<1>}	84.0469	0.079	2	84.0469	0.006	2	84.0469	0.006	2	83.5562	0.725	3	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:1:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF){2|C<3>,3|H<1>}	82.5749	0.000	1	82.5749	0.000	1	82.5749	0.000	1	83.5562	0.725	3	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:1:	5:3:1:1:	5:3:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:N[5]-3:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	O[5](Si[5]C[5]ClCC)(C[5]N[5]C)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	O[5](Si[5]C[5]ClCC)(C[5]N[5]C){1|N<2>,2|H<1>}	83.0187	0.000	1	83.0187	0.000	1	83.0187	0.000	1	81.9017	2.495	2	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:1:	5:3:1:1:	5:3:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[5]-3:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	O[5](Si[5]C[5]CCF)(C[5]C[5]N[5])	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	O[5](Si[5]C[5]CCF)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|H<1>}	80.7847	0.000	1	80.7847	0.000	1	80.7847	0.000	1	81.9017	2.495	2	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:2:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-2:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){1|C<3>,1|C<4>,4|H<1>}	84.9202	0.193	2	84.9202	0.037	2	84.9202	0.037	2	84.9202	0.037	2	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:3:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	85.7757	0.000	1	85.2333	0.588	2	85.6640	0.851	3	85.6640	0.851	3	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:3:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	84.6909	0.000	1	85.2333	0.588	2	85.6640	0.851	3	85.6640	0.851	3	84.0552	2.553	11	85.7622	7.813	26
931	474	976	5:SPD5_SP2_SP3	Si[5]	C[5]	O[5]	4:2:4:4:3:	3:5:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	86.5255	0.000	1	86.5255	0.000	1	85.6640	0.851	3	85.6640	0.851	3	84.0552	2.553	11	85.7622	7.813	26
931	490	490	0:SPD5_SP3_SP3	Si[5,5]	C	C	3:2:2:4:4:	5:1:1:1:	5:1:1:1:	N[5,5]-3:O[5]-2:O[5]-2:C-4:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2	C(Si[5,5]N[5,5]O[5]2C)(H)3	C(Si[5,5]N[5,5]O[5]2C)(H)3	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2{4|C<3>}	C(Si[5,5]N[5,5]O[5]2C)(H)3	C(Si[5,5]N[5,5]O[5]2C)(H)3	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5,6]	C	C	3:2:2:4:4:	5:1:1:1:	5:1:1:1:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	120.3967	1.398	3	120.3967	1.956	3	120.3967	1.956	3	120.3967	1.956	3	120.3967	1.956	3	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:2:4:4:	5:4:4:4:	5:4:4:4:	O[5]-2:O[5]-2:O-2:C-4:C-4:	Si[5]-5:C-4:C-4:C-4:	Si[5]-5:C-4:C-4:C-4:	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	C(Si[5]O[5]2CO)(CH3)3	C(Si[5]O[5]2CO)(CH3)3	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	C(Si[5]O[5]2CO)(CH3)3	C(Si[5]O[5]2CO)(CH3)3	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:4:4:1:	5:1:1:1:	5:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl)	C(Si[5]O[5]2ClC)(H)3	C(Si[5]O[5]2ClC)(H)3	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl){2|C<3>}	C(Si[5]O[5]2ClC)(H)3	C(Si[5]O[5]2ClC)(H)3	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:4:4:1:	5:4:1:1:	5:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	C(Si[5]O[5]2CF)(H)3	118.5260	0.000	1	121.1605	13.881	2	121.1605	13.881	2	120.5070	6.242	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:4:4:1:	5:4:1:1:	5:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	C(Si[5]O[5]2CF)(H)3	123.7950	0.000	1	121.1605	13.881	2	121.1605	13.881	2	120.5070	6.242	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:4:4:1:	5:4:1:1:	5:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	C(Si[5]O[5]2CF)(H)3	117.9850	0.000	1	117.9850	0.000	1	120.0713	4.831	3	120.5070	6.242	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:4:4:1:	5:4:1:1:	5:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	C(Si[5]O[5]2CF)(H)3	119.8630	0.000	1	121.1145	3.133	2	120.0713	4.831	3	120.5070	6.242	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	2:2:4:4:1:	5:4:1:1:	5:1:1:1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	C(Si[5]O[5]2CF)(H)3	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	C(Si[5]O[5]2CF)(H)3	122.3660	0.000	1	121.1145	3.133	2	120.0713	4.831	3	120.5070	6.242	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	3:3:4:4:2:	5:1:1:1:	5:1:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:O-2:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS)	C(Si[5]N[5,6]2CO)(H)3	C(Si[5]N[5,6]2CO)(H)3	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS){2|H<1>,4|C<3>}	C(Si[5]N[5,6]2CO)(H)3	C(Si[5]N[5,6]2CO)(H)3	128.5430	0.000	1	128.5430	0.000	1	128.5430	0.000	1	128.5430	0.000	1	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:1:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	C(Si[5]C[5]O[5]ClC)(H)3	115.3405	0.197	2	115.3405	0.039	2	115.3405	0.039	2	116.9904	3.408	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:1:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C(Si[5]C[5]O[5]ClC)(H)3	C(Si[5]C[5]O[5]ClC)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	C(Si[5]C[5]O[5]ClC)(H)3	C(Si[5]C[5]O[5]ClC)(H)3	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	116.9904	3.408	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:1:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C(Si[5]C[5]O[5]CF)(Cl)(H)2	C(Si[5]C[5]O[5]CF)(H)3	116.3680	0.000	1	116.3680	0.000	1	116.3680	0.000	1	116.9904	3.408	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:1:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C(Si[5]C[5]O[5]CF)(H)3	C(Si[5]C[5]O[5]CF)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	C(Si[5]C[5]O[5]CF)(H)3	C(Si[5]C[5]O[5]CF)(H)3	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	116.9904	3.408	5	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:2:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-2:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C(Si[5]C[5]O[5]CO)(H)3	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	C(Si[5]C[5]O[5]CO)(H)3	C(Si[5]C[5]O[5]CO)(H)3	119.1675	0.532	2	119.1675	0.284	2	119.1675	0.284	2	119.1675	0.284	2	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:3:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:Cl-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(Cl)(H)2	C(Si[5]C[5]O[5]CO)(H)3	117.7045	1.237	2	117.7045	1.530	2	117.7045	1.530	2	119.0853	6.485	3	119.7142	10.606	18	119.8376	8.844	22
931	490	490	0:SPD5_SP3_SP3	Si[5]	C	C	4:2:4:4:3:	5:1:1:1:	5:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C(Si[5]C[5]O[5]CO)(H)3	C(Si[5]C[5]O[5]CO)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	C(Si[5]C[5]O[5]CO)(H)3	121.8470	0.000	1	121.8470	0.000	1	121.8470	0.000	1	119.0853	6.485	3	119.7142	10.606	18	119.8376	8.844	22
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[5,6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5])	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	95.7093	0.000	1	95.7093	0.000	1	95.7093	0.000	1	94.9759	0.596	3	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	95.0478	0.000	1	94.6093	0.385	2	94.6093	0.385	2	94.9759	0.596	3	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	94.1707	0.000	1	94.6093	0.385	2	94.6093	0.385	2	94.9759	0.596	3	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[5,6]-4:N[5]-2:	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5])	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5]){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	121.0167	7.705	3	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-4:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.1450	0.000	1	122.4355	3.331	2	122.4355	3.331	2	121.0167	7.705	3	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-4:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	123.7260	0.000	1	122.4355	3.331	2	122.4355	3.331	2	121.0167	7.705	3	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:4:1:1:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C-4:H-1:H-1:	Si[5,5,6]-5:C[6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	96.6671	0.969	2	96.6671	0.938	2	96.6671	0.938	2	96.6671	0.938	2	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5,6]	C	N[5,6]	3:3:2:2:4:	5:4:1:1:	5:4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C-4:H-1:H-1:	Si[5,5,6]-5:C[6]-4:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	118.1830	0.887	2	118.1830	0.786	2	118.1830	0.786	2	118.1830	0.786	2	107.7678	166.580	10	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5,5]	3:2:2:4:4:	5:1:1:1:	3:3:5:	N[5,5]-3:O[5]-2:O[5]-2:C-4:C-4:	Si[5,5]-5:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-5:	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2	C(Si[5,5]N[5,5]O[5]2C)(H)3	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC)	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2{4|C<3>}	C(Si[5,5]N[5,5]O[5]2C)(H)3	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC){2|H<1>,4|C<3>}	119.8025	0.889	2	119.8025	0.790	2	119.8025	0.790	2	119.8025	0.790	2	126.6908	71.684	5	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5,5]	3:3:2:2:4:	5:1:1:1:	5:3:4:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	126.6908	71.684	5	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5,5]	3:3:3:2:4:	5:1:1:1:	5:3:3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	135.8800	0.996	2	135.8800	0.991	2	135.8800	0.991	2	135.8800	0.991	2	126.6908	71.684	5	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5,6]	3:3:2:2:4:	5:1:1:1:	5:3:3:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,4|H<1>}	93.8116	0.000	1	93.8116	0.000	1	93.8116	0.000	1	93.8116	0.000	1	93.8116	0.000	1	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5]	3:3:2:2:4:	5:1:1:1:	5:2:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:N[5]-2:C-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	C(Si[5,5]N[5]2O[5]2)(H)3	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	C(Si[5,5]N[5]2O[5]2)(H)3	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	105.5740	7.054	2	105.5740	49.760	2	105.5740	49.760	2	105.5740	49.760	2	112.9335	112.540	4	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5]	3:3:2:2:4:	5:1:1:1:	5:4:2:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C-4:N[5]-2:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	C(Si[5,5]N[5]2O[5]2)(H)3	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	C(Si[5,5]N[5]2O[5]2)(H)3	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	114.3260	0.000	1	114.3260	0.000	1	120.2930	71.210	2	120.2930	71.210	2	112.9335	112.540	4	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,5]	C	N[5]	3:3:2:2:4:	5:1:1:1:	5:4:2:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C-4:N[5]-2:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	C(Si[5,5]N[5]2O[5]2)(H)3	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	C(Si[5,5]N[5]2O[5]2)(H)3	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	126.2600	0.000	1	126.2600	0.000	1	120.2930	71.210	2	120.2930	71.210	2	112.9335	112.540	4	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,6]	C	N[5,6]	3:2:2:4:4:	5:1:1:1:	5:4:3:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:C[5]-4:C[6]-3:	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C)	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	119.7940	2.788	6	119.7940	7.774	6	119.7940	7.774	6	119.7940	7.774	6	118.8109	13.244	7	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5,6]	C	N[5,6]	3:4:2:2:4:	5:1:1:1:	5:3:3:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	118.8109	13.244	7	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5]	C	N[5,6]	3:3:4:4:2:	5:1:1:1:	3:5:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:O-2:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS)	C(Si[5]N[5,6]2CO)(H)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS){2|H<1>,4|C<3>}	C(Si[5]N[5,6]2CO)(H)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H){2|H<1>,3|C<3>}	103.8989	13.639	4	103.8989	186.031	4	103.8989	186.031	4	103.8989	186.031	4	103.8989	186.031	4	113.5883	159.400	33
931	490	542	0:SPD5_SP2_SP3	Si[5]	C	N[5]	3:3:4:1:1:	5:1:1:1:	4:5:3:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	Si[5]-5:H-1:H-1:H-1:	P[5]-4:Si[5]-5:C[6a]-3:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	C(Si[5]C[5]N[5]Cl2)(H)3	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	C(Si[5]C[5]N[5]Cl2)(H)3	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	122.2330	5.810	2	122.2330	33.751	2	122.2330	33.751	2	122.2330	33.751	2	122.2330	33.751	2	113.5883	159.400	33
931	490	562	0:SPD5_SP3_SP3	Si[5,6]	C	Si[5]	3:4:2:2:4:	5:1:1:1:	5:3:3:4:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:N[5]-3:N[5]-3:C-4:	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3)	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3){4|H<1>,8|C<3>}	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1
931	490	622	0:SPD5_SP2_SP3	Si[5,6]	C	O[6]	3:2:2:4:4:	5:1:1:1:	5:3:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:C[6]-3:	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C)	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	90.6769	1.644	6	90.6769	2.703	6	90.6769	2.703	6	90.6769	2.703	6	90.7796	2.326	7	90.7796	2.326	7
931	490	622	0:SPD5_SP2_SP3	Si[5,6]	C	O[6]	3:4:2:2:4:	5:1:1:1:	5:3:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:C[6,6a]-3:	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a])	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	91.3956	0.000	1	91.3956	0.000	1	91.3956	0.000	1	91.3956	0.000	1	90.7796	2.326	7	90.7796	2.326	7
931	490	643	0:SPD5_SP2_SP3	Si[5,5]	C	C[6a]	3:3:3:2:4:	5:1:1:1:	5:3:3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	C[6a](Si[5,5]N[5,5a]N[5,5]O[5]C)(C[6a]C[6a]H)2	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	C[6a](Si[5,5]N[5,5a]N[5,5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	113.3780	0.243	2	113.3780	0.059	2	113.3780	0.059	2	113.3780	0.059	2	113.3780	0.059	2	113.3780	0.059	2
931	490	790	0:SPD5_SP-NON_SP3	Si[5]	C	Cl	2:2:4:4:1:	5:1:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl)	C(Si[5]O[5]2ClC)(H)3	Cl(Si[5]O[5]2CC)	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl){2|C<3>}	C(Si[5]O[5]2ClC)(H)3	Cl(Si[5]O[5]2CC)	94.4535	0.850	2	94.4535	0.722	2	94.4535	0.722	2	94.4535	0.722	2	97.6532	75.013	12	97.6532	75.013	12
931	490	790	0:SPD5_SP-NON_SP3	Si[5]	C	Cl	3:3:4:1:1:	5:1:1:1:	5:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	C(Si[5]C[5]N[5]Cl2)(H)3	Cl(Si[5]C[5]N[5]ClC)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	C(Si[5]C[5]N[5]Cl2)(H)3	Cl(Si[5]C[5]N[5]ClC)	103.9163	13.948	4	103.9163	194.541	4	103.9163	194.541	4	103.9163	194.541	4	97.6532	75.013	12	97.6532	75.013	12
931	490	790	0:SPD5_SP-NON_SP3	Si[5]	C	Cl	4:2:4:4:1:	5:1:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Cl(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	Cl(Si[5]C[5]O[5]CC)	95.0566	0.142	2	95.0566	0.020	2	95.0566	0.020	2	94.5444	1.084	6	97.6532	75.013	12	97.6532	75.013	12
931	490	790	0:SPD5_SP-NON_SP3	Si[5]	C	Cl	4:2:4:4:1:	5:1:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C(Si[5]C[5]O[5]ClC)(H)3	Cl(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C(Si[5]C[5]O[5]ClC)(H)3	Cl(Si[5]C[5]O[5]CC)	93.5365	0.050	2	93.5365	0.002	2	94.2883	1.538	4	94.5444	1.084	6	97.6532	75.013	12	97.6532	75.013	12
931	490	790	0:SPD5_SP-NON_SP3	Si[5]	C	Cl	4:2:4:4:1:	5:1:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C(Si[5]C[5]O[5]ClC)(H)3	Cl(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	C(Si[5]C[5]O[5]ClC)(H)3	Cl(Si[5]C[5]O[5]CC)	95.0401	1.533	2	95.0401	2.351	2	94.2883	1.538	4	94.5444	1.084	6	97.6532	75.013	12	97.6532	75.013	12
931	490	813	0:SPD5_SP2_SP3	Si[5,5]	C	N[5,5a]	3:3:3:2:4:	5:1:1:1:	5:3:3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,5a]-3:C[5a]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	93.2776	0.406	2	93.2776	0.165	2	93.2776	0.165	2	93.2776	0.165	2	93.2776	0.165	2	93.2776	0.165	2
931	490	818	0:SPD5_SP2_SP3	Si[5]	C	C[5]	3:3:4:1:1:	5:1:1:1:	5:3:3:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:C-3:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	C(Si[5]C[5]N[5]Cl2)(H)3	C[5](Si[5]N[5]Cl2C)(C[5]P[5]C)(COO)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	C(Si[5]C[5]N[5]Cl2)(H)3	C[5](Si[5]N[5]Cl2C)(C[5]P[5]C)(COO){3|C<3>}	93.6490	1.814	2	93.6490	3.291	2	93.6490	3.291	2	93.6490	3.291	2	93.6490	3.291	2	93.6490	3.291	2
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:1:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	95.9506	0.000	1	95.9506	0.000	1	95.8963	0.647	5	95.8963	0.647	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:1:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	95.0585	0.000	1	95.8371	1.213	2	95.8963	0.647	5	95.8963	0.647	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:1:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	96.6158	0.000	1	95.8371	1.213	2	95.8963	0.647	5	95.8963	0.647	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:1:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	95.1024	0.000	1	95.9283	1.364	2	95.8963	0.647	5	95.8963	0.647	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:1:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(H)3	F(Si[5]O[5]2CC)	96.7543	0.000	1	95.9283	1.364	2	95.8963	0.647	5	95.8963	0.647	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:4:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	F(Si[5]O[5]2CC)	93.6615	0.000	1	91.6697	7.935	2	91.6697	7.935	2	92.1315	6.592	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:4:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	F(Si[5]O[5]2CC)	89.6779	0.000	1	91.6697	7.935	2	91.6697	7.935	2	92.1315	6.592	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:4:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	F(Si[5]O[5]2CC)	89.0297	0.000	1	89.0297	0.000	1	92.4394	8.862	3	92.1315	6.592	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:4:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	F(Si[5]O[5]2CC)	93.7675	0.000	1	94.1443	0.284	2	92.4394	8.862	3	92.1315	6.592	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	2:2:4:4:1:	5:4:1:1:	5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	F(Si[5]O[5]2CC)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	F(Si[5]O[5]2CC)	94.5211	0.000	1	94.1443	0.284	2	92.4394	8.862	3	92.1315	6.592	5	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	4:2:4:4:1:	5:1:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:Cl-1:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	F(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C(Si[5]C[5]O[5]CF)(Cl)(H)2	F(Si[5]C[5]O[5]CC)	95.3257	0.000	1	95.3257	0.000	1	95.3257	0.000	1	97.0718	1.908	4	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	4:2:4:4:1:	5:1:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C(Si[5]C[5]O[5]CF)(H)3	F(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C(Si[5]C[5]O[5]CF)(H)3	F(Si[5]C[5]O[5]CC)	98.3657	0.000	1	98.3657	0.000	1	97.6538	0.830	3	97.0718	1.908	4	94.8876	7.449	14	94.8876	7.449	14
931	490	830	0:SPD5_SP-NON_SP3	Si[5]	C	F	4:2:4:4:1:	5:1:1:1:	5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C(Si[5]C[5]O[5]CF)(H)3	F(Si[5]C[5]O[5]CC)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	C(Si[5]C[5]O[5]CF)(H)3	F(Si[5]C[5]O[5]CC)	97.2979	0.948	2	97.2979	0.899	2	97.6538	0.830	3	97.0718	1.908	4	94.8876	7.449	14	94.8876	7.449	14
931	490	871	0:SPD5_SP3_SP3	Si[5]	C	O	4:2:4:4:3:	5:1:1:1:	5:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:Cl-1:H-1:H-1:	Si[5]-5:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(Cl)(H)2	O(Si[5]C[5]O[5]CC)(H)2	90.5128	3.628	2	90.5128	13.162	2	90.5128	13.162	2	91.7463	5.077	6	91.7463	5.077	6	91.7463	5.077	6
931	490	871	0:SPD5_SP3_SP3	Si[5]	C	O	4:2:4:4:3:	5:1:1:1:	5:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C(Si[5]C[5]O[5]CO)(H)3	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	O(Si[5]C[5]O[5]CC)(H)2	92.1803	2.103	2	92.1803	4.424	2	92.3630	2.553	4	91.7463	5.077	6	91.7463	5.077	6	91.7463	5.077	6
931	490	871	0:SPD5_SP3_SP3	Si[5]	C	O	4:2:4:4:3:	5:1:1:1:	5:1:1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C(Si[5]C[5]O[5]CO)(H)3	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	O(Si[5]C[5]O[5]CC)(H)2	92.5458	1.761	2	92.5458	3.102	2	92.3630	2.553	4	91.7463	5.077	6	91.7463	5.077	6	91.7463	5.077	6
931	490	891	0:SPD5_SP2_SP3	Si[5,5]	C	S[5]	3:3:2:2:4:	5:1:1:1:	5:3:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	S[5](Si[5,5]N[5,5]N[5,6]CO)(C[5,6a]C[5,6a]C[6a])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	S[5](Si[5,5]N[5,5]N[5,6]CO)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	96.6722	0.000	1	96.6722	0.000	1	96.6722	0.000	1	96.6722	0.000	1	96.6722	0.000	1	96.6722	0.000	1
931	490	891	0:SPD5_SP3_SP3	Si[5,5]	C	S[5]	2:2:2:2:4:	5:1:1:1:	5:4:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5]-4:	Si[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	C(Si[5,5]O[5]2S[5]2)(H)3	S[5](Si[5,5]O[5]2S[5]C)(C[5]C[5]HH)	Si[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	C(Si[5,5]O[5]2S[5]2)(H)3	S[5](Si[5,5]O[5]2S[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>}	118.3330	1.780	2	118.3330	3.170	2	118.3330	3.170	2	118.3330	3.170	2	118.3330	3.170	2	118.3330	3.170	2
931	490	893	0:SPD5_SP2_SP3	Si[5,5]	C	O	3:3:2:2:4:	5:1:1:1:	5:3:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	O(Si[5,5]N[5,5]N[5,6]S[5]C)(C[6a]C[6a]2)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	C(Si[5,5]N[5,5]N[5,6]S[5]O)(H)3	O(Si[5,5]N[5,5]N[5,6]S[5]C)(C[6a]C[6a]2)	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	110.1875	13.401	2	110.1875	13.401	2
931	490	893	0:SPD5_SP2_SP3	Si[5,5]	C	O	5:2:2:4:2:	5:1:1:1:	5:3:	Si[5,5]-5:O[5]-2:O[5]-2:C-4:O-2:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C-3:	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC)	C(Si[5,5]Si[5,5]O[5]2O)(H)3	O(Si[5,5]Si[5,5]O[5]2C)(CC[6a]O)	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC){2|C<3>}	C(Si[5,5]Si[5,5]O[5]2O)(H)3	O(Si[5,5]Si[5,5]O[5]2C)(CC[6a]O)	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	110.1875	13.401	2	110.1875	13.401	2
931	490	893	0:SPD5_SP3_SP3	Si[5]	C	O	2:2:2:4:4:	5:4:4:4:	5:3:	O[5]-2:O[5]-2:O-2:C-4:C-4:	Si[5]-5:C-4:C-4:C-4:	Si[5]-5:N[6a]-3:	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	C(Si[5]O[5]2CO)(CH3)3	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	C(Si[5]O[5]2CO)(CH3)3	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	95.9137	8.665	2	95.9137	75.088	2	95.9137	75.088	2	95.9137	75.088	2	93.0669	18.385	8	93.0669	18.385	8
931	490	893	0:SPD5_SP3_SP3	Si[5]	C	O	3:3:4:4:2:	5:1:1:1:	5:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:O-2:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:S-4:	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS)	C(Si[5]N[5,6]2CO)(H)3	O(Si[5]N[5,6]2CC)(SCOO)	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS){2|H<1>,4|C<3>}	C(Si[5]N[5,6]2CO)(H)3	O(Si[5]N[5,6]2CC)(SCOO)	92.6873	0.341	2	92.6873	0.116	2	92.6873	0.116	2	92.6873	0.116	2	93.0669	18.385	8	93.0669	18.385	8
931	490	893	0:SPD5_SP3_SP3	Si[5]	C	O	4:2:4:4:2:	5:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:O-2:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:S-4:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C(Si[5]C[5]O[5]CO)(H)3	O(Si[5]C[5]O[5]CC)(SCOO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	C(Si[5]C[5]O[5]CO)(H)3	O(Si[5]C[5]O[5]CC)(SCOO)	91.8333	3.210	4	91.8333	10.302	4	91.8333	10.302	4	91.8333	10.302	4	93.0669	18.385	8	93.0669	18.385	8
931	490	931	0:SPD5_SP3_SPD5	Si[5,5]	C	Si[5,5]	5:2:2:4:2:	5:1:1:1:	5:2:2:4:2:	Si[5,5]-5:O[5]-2:O[5]-2:C-4:O-2:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:O[5]-2:O[5]-2:C-4:O-2:	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC)	C(Si[5,5]Si[5,5]O[5]2O)(H)3	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC)	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC){2|C<3>}	C(Si[5,5]Si[5,5]O[5]2O)(H)3	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC){2|C<3>}	131.4800	0.000	1	131.4800	0.000	1	131.4800	0.000	1	131.4800	0.000	1	131.4800	0.000	1	131.4800	0.000	1
931	490	976	0:SPD5_SP2_SP3	Si[5,5,6]	C	O[5]	3:3:2:2:4:	5:1:1:1:	5:3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[5]-3:	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5])	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5]){1|C<4>,1|N<2>,4|C<3>}	104.0480	1.632	2	104.0480	2.663	2	103.5160	4.777	6	103.5160	4.777	6	104.1118	7.241	10	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5,6]	C	O[5]	3:3:2:2:4:	5:1:1:1:	5:3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:H-1:H-1:H-1:	Si[5,5,6]-5:C[5]-3:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C)	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(H)3	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	103.2500	2.606	4	103.2500	6.791	4	103.5160	4.777	6	103.5160	4.777	6	104.1118	7.241	10	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5,6]	C	O[5]	3:3:2:2:4:	5:4:1:1:	5:3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C-4:H-1:H-1:	Si[5,5,6]-5:C[5]-3:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5]){1|C<4>,1|N<2>,4|C<3>}	105.0055	3.462	4	105.0055	11.987	4	105.0055	11.987	4	105.0055	11.987	4	104.1118	7.241	10	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	2:2:2:2:4:	5:1:1:1:	5:3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5]-3:	Si[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	C(Si[5,5]O[5]2S[5]2)(H)3	O[5](Si[5,5]O[5]S[5]2C)(C[5]C[5]N)	Si[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	C(Si[5,5]O[5]2S[5]2)(H)3	O[5](Si[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	95.3030	0.901	2	95.3030	0.811	2	95.3030	0.811	2	95.3030	0.811	2	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	3:2:2:4:4:	5:1:1:1:	5:3:	N[5,5]-3:O[5]-2:O[5]-2:C-4:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2	C(Si[5,5]N[5,5]O[5]2C)(H)3	O[5](Si[5,5]N[5,5]O[5]CC)(C[5,6a]C[5,6a]C[6a])	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2{4|C<3>}	C(Si[5,5]N[5,5]O[5]2C)(H)3	O[5](Si[5,5]N[5,5]O[5]CC)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>}	93.0918	1.330	4	93.0918	1.770	4	93.0918	1.770	4	93.0918	1.770	4	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	3:3:2:2:4:	5:1:1:1:	5:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5]-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	C(Si[5,5]N[5]2O[5]2)(H)3	O[5](Si[5,5]N[5]2O[5]C)(C[5]N[5]C)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	C(Si[5,5]N[5]2O[5]2)(H)3	O[5](Si[5,5]N[5]2O[5]C)(C[5]N[5]C){1|C<4>,1|N<2>,2|C<3>}	99.3924	4.545	4	99.3924	20.656	4	99.3924	20.656	4	99.3924	20.656	4	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	3:3:3:2:4:	5:1:1:1:	5:3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6a]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	O[5](Si[5,5]N[5,5a]N[5,5]C[6a]C)(C[5,6a]C[5,6a]C[6a])	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	C(Si[5,5]N[5,5a]N[5,5]C[6a]O[5])(H)3	O[5](Si[5,5]N[5,5a]N[5,5]C[6a]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	92.1659	0.550	2	92.1659	0.302	2	92.1659	0.302	2	92.1659	0.302	2	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	4:4:2:2:4:	5:1:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C(Si[5,5]C[5]2O[5]2)(H)3	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C(Si[5,5]C[5]2O[5]2)(H)3	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	95.2122	0.499	8	95.3874	0.321	12	95.3874	0.321	12	95.3874	0.321	12	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	4:4:2:2:4:	5:1:1:1:	5:3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5,6]-3:	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	C(Si[5,5]C[5]2O[5]2)(H)3	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	C(Si[5,5]C[5]2O[5]2)(H)3	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){2|N<3>,3|C<3>,4|H<1>}	95.7379	0.593	4	95.3874	0.321	12	95.3874	0.321	12	95.3874	0.321	12	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,5]	C	O[5]	5:2:2:4:2:	5:1:1:1:	5:3:	Si[5,5]-5:O[5]-2:O[5]-2:C-4:O-2:	Si[5,5]-5:H-1:H-1:H-1:	Si[5,5]-5:C[5]-3:	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC)	C(Si[5,5]Si[5,5]O[5]2O)(H)3	O[5](Si[5,5]Si[5,5]O[5]CO)(C[5]C[6a]O[5])	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC){2|C<3>}	C(Si[5,5]Si[5,5]O[5]2O)(H)3	O[5](Si[5,5]Si[5,5]O[5]CO)(C[5]C[6a]O[5]){1|C<4>,2|O<2>,3|C<3>}	92.4045	0.856	2	92.4045	0.733	2	92.4045	0.733	2	92.4045	0.733	2	95.1666	7.808	26	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,6]	C	O[5]	3:2:2:4:4:	5:1:1:1:	5:3:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:C[5]-3:	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	O[5](Si[5,6]N[5,6]O[6]CC)(C[5]C[5]O)	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(Si[5,6]N[5,6]O[5]O[6]C)(H)3	O[5](Si[5,6]N[5,6]O[6]CC)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	92.4921	1.437	6	92.4921	2.066	6	92.4921	2.066	6	92.4921	2.066	6	92.7614	2.229	7	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5,6]	C	O[5]	3:4:2:2:4:	5:1:1:1:	5:3:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	Si[5,6]-5:H-1:H-1:H-1:	Si[5,6]-5:C[5,6a]-3:	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	O[5](Si[5,6]N[5,6]Si[5]O[6]C)(C[5,6a]C[5,6a]C[6a])	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	C(Si[5,6]N[5,6]Si[5]O[5]O[6])(H)3	O[5](Si[5,6]N[5,6]Si[5]O[6]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	94.3775	0.000	1	94.3775	0.000	1	94.3775	0.000	1	94.3775	0.000	1	92.7614	2.229	7	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:2:4:4:	5:4:4:4:	3:5:	O[5]-2:O[5]-2:O-2:C-4:C-4:	Si[5]-5:C-4:C-4:C-4:	C[5,6]-3:Si[5]-5:	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	C(Si[5]O[5]2CO)(CH3)3	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]CCO)	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	C(Si[5]O[5]2CO)(CH3)3	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]CCO){1|H<1>,2|C<3>}	90.8081	3.344	2	90.8081	11.179	2	90.8081	11.179	2	90.8081	11.179	2	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	3:5:	O[5]-2:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl)	C(Si[5]O[5]2ClC)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]ClCC)	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl){2|C<3>}	C(Si[5]O[5]2ClC)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]ClCC){1|H<1>,2|C<3>}	91.6811	1.899	2	91.6811	3.605	2	91.6811	3.605	2	91.9134	1.965	3	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	3:5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	C[5]-3:Si[5]-5:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](C[5]C[6a]N[5])(Si[5]O[5]CCF)	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(H)3	O[5](C[5]C[6a]N[5])(Si[5]O[5]CCF){2|C<3>}	92.3781	0.000	1	92.3781	0.000	1	92.3781	0.000	1	91.9134	1.965	3	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:2:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:N[5]-2:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(N[5]C[5])	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(N[5]C[5]){1|C<3>}	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O){2|H<1>}	90.7812	0.000	1	100.0754	291.095	3	99.5703	230.223	6	99.5703	230.223	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O){1|O<1>}	104.7225	21.275	2	100.0754	291.095	3	99.5703	230.223	6	99.5703	230.223	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O){2|H<1>}	88.7974	0.000	1	99.0653	283.698	3	99.5703	230.223	6	99.5703	230.223	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]O){1|O<1>}	104.1993	20.230	2	99.0653	283.698	3	99.5703	230.223	6	99.5703	230.223	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	3:5:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	C[5]-3:Si[5]-5:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](C[5]C[6a]N[5])(Si[5]O[5]CCF)	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](C[5]C[6a]N[5])(Si[5]O[5]CCF){2|C<3>}	90.1750	0.000	1	90.1750	0.000	1	90.1750	0.000	1	90.1750	0.000	1	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:2:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:N[5]-2:	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(N[5]C[5])	Si[5](O[5]C[5])(O[5]N[5])(CN[6]HH)(CH3)(F){1|C<3>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(N[5]C[5]){1|C<3>}	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O){2|H<1>}	85.6345	0.000	1	97.4236	269.871	3	97.4236	269.871	3	96.7616	254.463	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O){1|O<1>}	103.3181	18.201	2	97.4236	269.871	3	97.4236	269.871	3	96.7616	254.463	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O){2|H<1>}	85.6010	0.000	1	96.0997	364.973	3	96.0997	364.973	3	96.7616	254.463	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:3:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){2|O<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]O){1|O<1>}	101.3491	23.762	2	96.0997	364.973	3	96.0997	364.973	3	96.7616	254.463	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:1:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:Cl-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C(Si[5]C[5]O[5]ClC)(Cl)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC){2|C<3>,3|H<1>}	89.8896	0.069	2	89.8896	0.005	2	89.8896	0.005	2	89.6960	6.973	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:1:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	C(Si[5]C[5]O[5]ClC)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	C(Si[5]C[5]O[5]ClC)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC){2|C<3>,3|H<1>}	91.6884	0.012	2	91.6884	0.000	2	91.6884	0.000	2	89.6960	6.973	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:1:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:Cl-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C(Si[5]C[5]O[5]CF)(Cl)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C(Si[5]C[5]O[5]CF)(Cl)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF){2|C<3>,3|H<1>}	84.5698	0.000	1	84.5698	0.000	1	84.5698	0.000	1	89.6960	6.973	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:1:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	C(Si[5]C[5]O[5]CF)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	C(Si[5]C[5]O[5]CF)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF){2|C<3>,3|H<1>}	90.4501	0.000	1	90.4501	0.000	1	90.4501	0.000	1	89.6960	6.973	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:1:	5:1:1:1:	5:3:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	C(Si[5]C[5]O[5]ClC)(H)3	O[5](Si[5]C[5]ClCC)(C[5]N[5]C)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	C(Si[5]C[5]O[5]ClC)(H)3	O[5](Si[5]C[5]ClCC)(C[5]N[5]C){1|N<2>,2|H<1>}	89.8214	0.083	2	89.8214	0.007	2	89.8214	0.007	2	88.1940	4.629	4	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:1:	5:1:1:1:	5:3:	C[5]-4:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-3:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	C(Si[5]C[5]O[5]CF)(H)3	O[5](Si[5]C[5]CCF)(C[5]C[5]N[5])	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	C(Si[5]C[5]O[5]CF)(H)3	O[5](Si[5]C[5]CCF)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|H<1>}	86.5666	1.813	2	86.5666	3.286	2	86.5666	3.286	2	88.1940	4.629	4	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:2:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-2:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	C(Si[5]C[5]O[5]CO)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	C(Si[5]C[5]O[5]CO)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){1|C<3>,1|C<4>,4|H<1>}	92.4568	0.101	4	92.4568	0.010	4	92.4568	0.010	4	92.4568	0.010	4	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:3:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:Cl-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C(Si[5]C[5]O[5]CO)(Cl)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(Cl)(H)2	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	92.2372	2.364	2	92.2372	5.590	2	92.2372	5.590	2	91.5707	2.660	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:3:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	C(Si[5]C[5]O[5]CO)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	92.4355	0.199	2	92.4355	0.039	2	91.2375	2.125	4	91.5707	2.660	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP2_SP3	Si[5]	C	O[5]	4:2:4:4:3:	5:1:1:1:	3:5:	C[5]-4:O[5]-2:C-4:C-4:O-3:	Si[5]-5:H-1:H-1:H-1:	C[5,6]-3:Si[5]-5:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	C(Si[5]C[5]O[5]CO)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	C(Si[5]C[5]O[5]CO)(H)3	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	90.0395	0.772	2	90.0395	0.596	2	91.2375	2.125	4	91.5707	2.660	6	94.4409	116.014	40	95.6918	68.745	83
931	490	976	0:SPD5_SP3_SP3	Si[5]	C	O[5]	2:2:2:4:4:	5:4:4:4:	3:5:	O[5]-2:O[5]-2:O-2:C-4:C-4:	Si[5]-5:C-4:C-4:C-4:	N[5,6]-3:Si[5]-5:	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	C(Si[5]O[5]2CO)(CH3)3	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	C(Si[5]O[5]2CO)(CH3)3	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO){1|H<1>,2|C<3>}	118.5795	4.806	2	118.5795	23.100	2	118.5795	23.100	2	118.5795	23.100	2	119.5916	6.734	8	119.5916	6.734	8
931	490	976	0:SPD5_SP3_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	3:5:	O[5]-2:O[5]-2:C-4:C-4:Cl-1:	Si[5]-5:H-1:H-1:H-1:	N[5,6]-3:Si[5]-5:	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl)	C(Si[5]O[5]2ClC)(H)3	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl){2|C<3>}	C(Si[5]O[5]2ClC)(H)3	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC){1|H<1>,2|C<3>}	119.5520	1.493	2	119.5520	2.230	2	119.5520	2.230	2	119.5520	2.230	2	119.5916	6.734	8	119.5916	6.734	8
931	490	976	0:SPD5_SP3_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:4:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-4:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	122.9820	0.000	1	122.9820	0.000	1	122.2055	1.206	2	122.2055	1.206	2	119.5916	6.734	8	119.5916	6.734	8
931	490	976	0:SPD5_SP3_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:1:1:1:	5:4:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:H-1:H-1:H-1:	Si[5]-5:C[5]-4:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(H)3	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	121.4290	0.000	1	121.4290	0.000	1	122.2055	1.206	2	122.2055	1.206	2	119.5916	6.734	8	119.5916	6.734	8
931	490	976	0:SPD5_SP3_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:4:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N-4:H-1:H-1:	Si[5]-5:C[5]-4:	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(NCCH)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	118.0800	0.000	1	118.0800	0.000	1	118.0800	0.000	1	118.0295	0.005	2	119.5916	6.734	8	119.5916	6.734	8
931	490	976	0:SPD5_SP3_SP3	Si[5]	C	O[5]	2:2:4:4:1:	5:4:1:1:	5:4:	O[5]-2:O[5]-2:C-4:C-4:F-1:	Si[5]-5:N[6]-4:H-1:H-1:	Si[5]-5:C[5]-4:	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	C(Si[5]O[5]2CF)(N[6]C[6]2H)(H)2	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	118.0295	0.005	2	119.5916	6.734	8	119.5916	6.734	8
931	542	542	0:SPD5_SP2_SP2	Si[5,5]	N[5]	N[5]	3:3:2:2:4:	5:4:2:	5:2:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:C-4:N[5]-2:	Si[5,5]-5:N[5]-2:C-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	145.0300	0.000	1	145.0300	0.000	1	134.0615	240.616	2	134.0615	240.616	2	134.0615	240.616	2	134.0615	240.616	2
931	542	542	0:SPD5_SP2_SP2	Si[5,5]	N[5]	N[5]	3:3:2:2:4:	5:4:2:	5:2:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	Si[5,5]-5:C-4:N[5]-2:	Si[5,5]-5:N[5]-2:C-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	123.0930	0.000	1	123.0930	0.000	1	134.0615	240.616	2	134.0615	240.616	2	134.0615	240.616	2	134.0615	240.616	2
931	542	542	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,5]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	Si[5,5]-5:N[5,5]-3:C[5]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O){1|H<1>,8|C<3>}	78.9802	0.000	1	78.9802	0.000	1	78.9802	0.000	1	78.9802	0.000	1	78.9802	0.000	1	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,6]	3:3:2:2:4:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,4|H<1>}	82.2478	0.000	1	82.2478	0.000	1	82.2478	0.000	1	82.2478	0.000	1	82.5024	0.220	7	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,6]	3:3:3:2:1:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Br-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	82.5607	0.000	1	82.5607	0.000	1	82.5607	0.000	1	82.8551	0.244	3	82.5024	0.220	7	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,6]	3:3:3:2:1:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){2|F<1>,3|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	83.4258	0.000	1	83.0024	0.359	2	83.0024	0.359	2	82.8551	0.244	3	82.5024	0.220	7	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,6]	3:3:3:2:1:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	82.5789	0.000	1	83.0024	0.359	2	83.0024	0.359	2	82.8551	0.244	3	82.5024	0.220	7	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,6]	3:3:3:2:2:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:N-2:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	82.2346	0.298	3	82.2346	0.089	3	82.2346	0.089	3	82.2346	0.089	3	82.5024	0.220	7	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	N[5,6]	3:3:3:2:2:	5:3:3:	5:3:4:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	82.5529	0.461	2	82.5529	0.212	2	82.5529	0.212	2	82.5529	0.212	2	82.5529	0.212	2	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:1:1:1:	3:5:3:	3:5:3:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(Cl)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(Cl)3{2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H){2|H<1>,3|C<3>}	80.8735	0.000	1	80.8735	0.000	1	80.8735	0.000	1	80.8735	0.000	1	81.3329	0.422	2	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:4:4:2:	3:5:3:	3:5:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:O-2:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(CH3)2(OS){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H){2|H<1>,3|C<3>}	81.7923	0.000	1	81.7923	0.000	1	81.7923	0.000	1	81.7923	0.000	1	81.3329	0.422	2	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5]	N[5,6]	N[5]	3:3:1:1:1:	3:5:3:	5:4:3:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5]-5:C[5]-4:C[6a]-3:	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2)	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){2|C<3>,4|H<1>}	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	83.4614	0.000	1	83.4614	0.000	1	83.4614	0.000	1	83.4614	0.000	1	83.4614	0.000	1	82.3710	1.556	15
931	542	542	5:SPD5_SP2_SP2	Si[5]	N[5]	N[5,6]	3:3:1:1:1:	4:5:3:	3:5:3:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	C[5]-4:Si[5]-5:C[6a]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2)	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	83.9176	0.141	2	83.9176	0.020	2	83.9176	0.020	2	83.9176	0.020	2	83.9176	0.020	2	82.3710	1.556	15
931	542	542	6:SPD5_SP2_SP2	Si[5,5,6]	N[5,6]	N[5,6]	3:3:2:2:4:	5:3:2:	5:4:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C[6]-3:N[5]-2:	Si[5,5,6]-5:C[6]-4:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	89.3620	0.065	2	89.3620	0.004	2	89.3620	0.004	2	89.3620	0.004	2	89.3130	0.107	5	89.3130	0.107	5
931	542	542	6:SPD5_SP2_SP2	Si[5,5,6]	N[5,6]	N[5,6]	3:3:2:2:4:	5:4:2:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C[5,6]-4:N[5]-2:	Si[5,5,6]-5:C[5,6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5])	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5]){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	89.7901	0.000	1	89.7901	0.000	1	89.7901	0.000	1	89.2803	0.208	3	89.3130	0.107	5	89.3130	0.107	5
931	542	542	6:SPD5_SP2_SP2	Si[5,5,6]	N[5,6]	N[5,6]	3:3:2:2:4:	5:4:2:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C[6]-4:N[5]-2:	Si[5,5,6]-5:C[6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	88.9127	0.000	1	89.0254	0.025	2	89.0254	0.025	2	89.2803	0.208	3	89.3130	0.107	5	89.3130	0.107	5
931	542	542	6:SPD5_SP2_SP2	Si[5,5,6]	N[5,6]	N[5,6]	3:3:2:2:4:	5:4:2:	5:3:2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	Si[5,5,6]-5:C[6]-4:N[5]-2:	Si[5,5,6]-5:C[6]-3:N[5]-2:	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	89.1380	0.000	1	89.0254	0.025	2	89.0254	0.025	2	89.2803	0.208	3	89.3130	0.107	5	89.3130	0.107	5
931	542	562	0:SPD5_SP2_SP3	Si[5,6]	N[5,6]	Si[5]	3:4:2:2:4:	5:3:3:	5:3:3:4:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6]-5:N[5]-3:N[5]-3:C-4:	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3)	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3){4|H<1>,8|C<3>}	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1
931	542	622	0:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:2:2:	5:3:3:	5:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6,6]-5:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	168.7380	0.875	2	168.7380	0.766	2	168.7380	0.766	2	168.7380	0.766	2	149.2933	507.168	4	149.2933	507.168	4
931	542	622	0:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:2:2:	5:3:4:	5:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	Si[5,6,6]-5:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	129.8485	2.889	2	129.8485	8.344	2	129.8485	8.344	2	129.8485	8.344	2	149.2933	507.168	4	149.2933	507.168	4
931	542	622	6:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:2:2:	5:3:3:	5:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6,6]-5:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	86.0561	0.244	2	86.0561	0.060	2	86.0561	0.060	2	86.0561	0.060	2	91.0399	33.241	4	90.3128	11.721	10
931	542	622	6:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:2:2:	5:3:4:	5:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	Si[5,6,6]-5:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	96.0236	0.558	2	96.0236	0.312	2	96.0236	0.312	2	96.0236	0.312	2	91.0399	33.241	4	90.3128	11.721	10
931	542	622	6:SPD5_SP2_SP2	Si[5,6]	N[5,6]	O[6]	3:2:2:4:4:	5:4:3:	5:3:	N[5,6]-3:O[5]-2:O[6]-2:C-4:C-4:	Si[5,6]-5:C[5]-4:C[6]-3:	Si[5,6]-5:C[6]-3:	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C)	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C)	Si[5,6](N[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	89.8565	0.057	3	89.8565	0.003	3	89.8565	0.003	3	89.8565	0.003	3	89.8281	0.449	6	90.3128	11.721	10
931	542	622	6:SPD5_SP2_SP2	Si[5,6]	N[5,6]	O[6]	3:3:3:2:2:	5:3:3:	5:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6]-5:C[5,6]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6]){1|N<3>,2|H<1>,2|O<1>,2|O<2>,6|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){1|H<1>,8|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5]){9|C<3>}	90.3955	0.319	2	90.3955	0.102	2	90.3955	0.102	2	90.3955	0.102	2	89.8281	0.449	6	90.3128	11.721	10
931	542	622	6:SPD5_SP2_SP2	Si[5,6]	N[5,6]	O[6]	3:4:2:2:4:	5:3:3:	5:3:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6]-5:C[6,6a]-3:	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a])	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	O[6](Si[5,6]N[5,6]Si[5]O[5]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	88.6079	0.000	1	88.6079	0.000	1	88.6079	0.000	1	88.6079	0.000	1	89.8281	0.449	6	90.3128	11.721	10
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:2:1:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Br-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Br)(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Br)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	116.7300	0.000	1	116.7300	0.000	1	116.7300	0.000	1	117.5647	3.540	3	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:2:1:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]F)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){2|F<1>,3|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	119.7190	0.000	1	119.7190	0.000	1	117.9820	6.034	2	117.5647	3.540	3	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:2:1:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	116.2450	0.000	1	116.2450	0.000	1	117.9820	6.034	2	117.5647	3.540	3	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:2:2:	5:3:4:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:N-2:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]N)(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]N)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	118.0393	6.505	3	118.0393	42.320	3	118.0393	42.320	3	118.0393	42.320	3	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:2:4:	5:3:3:	5:3:3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[6a](Si[5,5]N[5,5a]N[5,5]O[5]C)(C[6a]C[6a]H)2	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	C[6a](Si[5,5]N[5,5a]N[5,5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.7020	0.740	2	110.7020	0.547	2	110.7020	0.547	2	110.7020	0.547	2	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O)	C[6a](Si[5,5]N[5,5]2C[6a]O[5])(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O){1|H<1>,8|C<3>}	C[6a](Si[5,5]N[5,5]2C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,7|C<3>}	120.8355	2.744	2	120.8355	7.531	2	120.8355	7.531	2	106.3718	283.023	4	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,5]	C[6a]	3:3:3:3:2:	5:3:3:	5:3:3:	N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	Si[5,5]-5:N[5,5]-3:C[5]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[6a](Si[5,5]N[5,5]2C[6a]O[5])(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](Si[5,5]N[5,5]2C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,7|C<3>}	91.9081	2.178	2	91.9081	4.742	2	91.9081	4.742	2	106.3718	283.023	4	112.8086	115.080	12	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,6]	C[6a]	3:3:3:2:1:	5:3:3:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Br-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Br)(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br){5|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Br)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	93.7802	0.000	1	93.7802	0.000	1	93.7802	0.000	1	92.5720	4.165	3	92.9973	4.015	6	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,6]	C[6a]	3:3:3:2:1:	5:3:3:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]F)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){2|F<1>,3|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	90.2156	0.000	1	90.2156	0.000	1	91.9680	6.141	2	92.5720	4.165	3	92.9973	4.015	6	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,6]	C[6a]	3:3:3:2:1:	5:3:3:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){5|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]Cl)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	93.7203	0.000	1	93.7203	0.000	1	91.9680	6.141	2	92.5720	4.165	3	92.9973	4.015	6	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5,6]	C[6a]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:N-2:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6a](Si[5,5]N[5,5]N[5,6]S[5]N)(C[6a]C[6a]H)2	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC){5|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6a](Si[5,5]N[5,5]N[5,6]S[5]N)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	93.4227	2.309	3	93.4227	5.330	3	93.4227	5.330	3	93.4227	5.330	3	92.9973	4.015	6	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,5]	N[5]	C[6a]	3:4:3:2:2:	5:2:3:	5:3:3:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	Si[5,5]-5:N[5]-2:C-3:	Si[5,5]-5:C[6a]-3:C[6a]-3:	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H)	C[6a](Si[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](Si[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|C<4>,3|H<1>}	95.6723	0.000	1	95.6723	0.000	1	95.6723	0.000	1	95.6723	0.000	1	95.6723	0.000	1	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6,6]-5:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[6a](Si[5,6,6]N[5,6]2O[6]2)(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	C[6a](Si[5,6,6]N[5,6]2O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	91.4384	1.433	2	91.4384	2.054	2	91.4384	2.054	2	91.4384	2.054	2	104.0677	213.611	4	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:3:2:2:	5:3:4:	5:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	Si[5,6,6]-5:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](Si[5,6,6]N[5,6]2O[6]2)(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[6a](Si[5,6,6]N[5,6]2O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	116.6970	0.885	2	116.6970	0.784	2	116.6970	0.784	2	116.6970	0.784	2	104.0677	213.611	4	107.4403	202.017	25
931	542	643	0:SPD5_SP2_SP2	Si[5,6]	N[5,6]	C[6a]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6]-5:C[6a]-3:C[6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[6a](Si[5,6]N[5,6]N[5a]O[5]O[6])(C[6a]C[6a]H)2	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6]){1|N<3>,2|H<1>,2|O<1>,2|O<2>,6|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){1|H<1>,8|C<3>}	C[6a](Si[5,6]N[5,6]N[5a]O[5]O[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	131.1890	3.493	2	131.1890	12.202	2	131.1890	12.202	2	131.1890	12.202	2	131.1890	12.202	2	107.4403	202.017	25
931	542	790	0:SPD5_SP-NON_SP2	Si[5,5]	N[5,5]	Cl	3:3:3:2:1:	5:3:4:	5:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){2|F<1>,3|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	128.6330	0.000	1	132.2565	26.260	2	132.2565	26.260	2	132.2565	26.260	2	132.2565	26.260	2	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5,5]	N[5,5]	Cl	3:3:3:2:1:	5:3:4:	5:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	Si[5,5]-5:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){5|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	135.8800	0.000	1	132.2565	26.260	2	132.2565	26.260	2	132.2565	26.260	2	132.2565	26.260	2	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5,5]	N[5,6]	Cl	3:3:3:2:1:	5:3:3:	5:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5]-5:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){2|F<1>,3|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	88.0664	0.000	1	88.1946	0.033	2	88.1946	0.033	2	88.1946	0.033	2	88.1946	0.033	2	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5,5]	N[5,6]	Cl	3:3:3:2:1:	5:3:3:	5:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	Si[5,5]-5:	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){5|H<1>,6|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	Cl(Si[5,5]N[5,5]N[5,6]C[6a]S[5])	88.3228	0.000	1	88.1946	0.033	2	88.1946	0.033	2	88.1946	0.033	2	88.1946	0.033	2	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5,6]	Cl	3:3:1:1:1:	3:5:3:	5:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5]-5:	Si[5](N[5,6]C[5,6]C[6])2(Cl)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H)	Cl(Si[5]N[5,6]2Cl2)	Si[5](N[5,6]C[5,6]C[6])2(Cl)3{2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H){2|H<1>,3|C<3>}	Cl(Si[5]N[5,6]2Cl2)	103.2257	35.602	6	103.2257	1267.520	6	103.2257	1267.520	6	112.0368	1693.231	15	112.0368	1693.231	15	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5,6]	Cl	3:3:1:1:1:	3:5:3:	5:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5]-5:	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	Cl(Si[5]N[5,6]N[5]Cl2)	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	Cl(Si[5]N[5,6]N[5]Cl2)	117.8235	47.401	6	117.9109	2073.909	9	117.9109	2073.909	9	112.0368	1693.231	15	112.0368	1693.231	15	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5,6]	Cl	3:3:1:1:1:	3:5:3:	5:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-3:Si[5]-5:C[6]-3:	Si[5]-5:	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	Cl(Si[5]N[5,6]N[5]Cl2)	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){2|C<3>,4|H<1>}	Cl(Si[5]N[5,6]N[5]Cl2)	118.0856	51.755	3	117.9109	2073.909	9	117.9109	2073.909	9	112.0368	1693.231	15	112.0368	1693.231	15	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5]	Cl	3:3:1:1:1:	4:5:3:	5:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	C[5]-4:Si[5]-5:C[6a]-3:	Si[5]-5:	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2)	Cl(Si[5]N[5,6]N[5]Cl2)	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	Cl(Si[5]N[5,6]N[5]Cl2)	114.1634	13.490	6	114.1634	181.989	6	114.1634	181.989	6	113.4640	206.460	9	111.7779	228.912	16	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5]	Cl	3:3:1:1:1:	4:5:3:	5:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	P[5]-4:Si[5]-5:C[6a]-3:	Si[5]-5:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2)	Cl(Si[5]C[5]N[5]Cl2)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Cl(Si[5]C[5]N[5]Cl2)	112.0652	19.143	3	112.0652	366.465	3	112.0652	366.465	3	113.4640	206.460	9	111.7779	228.912	16	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5]	Cl	3:3:1:1:1:	5:4:3:	5:	N[5,6]-3:N[5]-3:Cl-1:Cl-1:Cl-1:	Si[5]-5:C[5]-4:C[6a]-3:	Si[5]-5:	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2)	Cl(Si[5]N[5,6]N[5]Cl2)	Si[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(Cl)3{3|H<1>,4|C<3>}	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	Cl(Si[5]N[5,6]N[5]Cl2)	114.1653	16.761	3	114.1653	280.930	3	114.1653	280.930	3	114.1653	280.930	3	111.7779	228.912	16	111.7114	856.387	35
931	542	790	0:SPD5_SP-NON_SP2	Si[5]	N[5]	Cl	3:3:4:1:1:	4:5:3:	5:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	P[5]-4:Si[5]-5:C[6a]-3:	Si[5]-5:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	Cl(Si[5]C[5]N[5]ClC)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Cl(Si[5]C[5]N[5]ClC)	106.1934	18.732	4	106.1934	350.904	4	106.1934	350.904	4	106.1934	350.904	4	111.7779	228.912	16	111.7114	856.387	35
931	542	813	0:SPD5_SP2_SP2	Si[5,6]	N[5,6]	N[5a]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	Si[5,6]-5:C[5a,6a]-3:C[5a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6]){1|N<3>,2|H<1>,2|O<1>,2|O<2>,6|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){1|H<1>,8|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,8|C<3>}	110.8740	1.411	2	110.8740	1.992	2	110.8740	1.992	2	110.8740	1.992	2	110.8740	1.992	2	110.8740	1.992	2
931	542	813	5:SPD5_SP2_SP2	Si[5,5]	N[5,5]	N[5,5a]	3:3:3:2:4:	5:3:3:	5:3:3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	Si[5,5]-5:C[5,5a]-3:C[5a]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	79.5350	0.133	2	79.5350	0.018	2	79.5350	0.018	2	79.5350	0.018	2	79.5350	0.018	2	79.5350	0.018	2
931	542	818	5:SPD5_SP2_SP2	Si[5]	N[5]	C[5]	3:3:1:1:1:	4:5:3:	5:3:3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	P[5]-4:Si[5]-5:C[6a]-3:	Si[5]-5:C[5]-3:C-3:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2)	C[5](Si[5]N[5]Cl3)(C[5]P[5]C)(COO)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5](Si[5]N[5]Cl3)(C[5]P[5]C)(COO){3|C<3>}	88.6527	0.000	1	88.6527	0.000	1	88.6527	0.000	1	88.6527	0.000	1	87.6850	0.723	3	87.6850	0.723	3
931	542	818	5:SPD5_SP2_SP2	Si[5]	N[5]	C[5]	3:3:4:1:1:	4:5:3:	5:3:3:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	P[5]-4:Si[5]-5:C[6a]-3:	Si[5]-5:C[5]-3:C-3:	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	C[5](Si[5]N[5]Cl2C)(C[5]P[5]C)(COO)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5](Si[5]N[5]Cl2C)(C[5]P[5]C)(COO){3|C<3>}	87.2011	0.201	2	87.2011	0.040	2	87.2011	0.040	2	87.2011	0.040	2	87.6850	0.723	3	87.6850	0.723	3