930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:1:1:	3:3:	3:	N-2:S-1:S-1:	C-3:C-3:	C-3:	C(NC)(S)2	N(CNN)(CSS)	S(CNS)	C(NC)(S)2	N(CNN)(CSS)	S(CNS)	118.5440	5.018	2	118.5440	25.177	2	118.5440	25.177	2	118.5440	25.177	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:1:	3:	N-2:N-2:S-1:	C-3:H-1:	C-3:	C(NH)2(S)	N(CNS)(H)	S(CNN)	C(NH)2(S)	N(CNS)(H)	S(CNN)	120.4430	0.158	2	120.4430	0.025	2	120.4430	0.025	2	120.4430	0.025	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:2:	3:	N-2:N-2:S-1:	C-3:N-2:	C-3:	C(NC)(NN)(S)	N(CNS)(NC)	S(CNN)	C(NC)(NN)(S)	N(CNS)(NC)	S(CNN)	119.2510	0.000	1	119.2510	0.000	1	118.8840	0.269	2	118.8840	0.269	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:2:	3:	N-2:N-2:S-1:	C-3:N-2:	C-3:	C(NC[6a])(NN)(S)	N(CNS)(NC)	S(CNN)	C(NC[6a])(NN)(S)	N(CNS)(NC)	S(CNN)	118.5170	0.000	1	118.5170	0.000	1	118.8840	0.269	2	118.8840	0.269	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:3:	3:	N-2:N-2:S-1:	C-3:N-3:	C-3:	C(NC)(NN)(S)	N(CNS)(NCH)	S(CNN)	C(NC)(NN)(S)	N(CNS)(NCH)	S(CNN)	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	123.4085	14.179	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:3:	3:	N-2:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NN)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	C(NC[6a])(NN)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	128.1590	0.000	1	128.1590	0.000	1	123.5715	9.841	4	123.4085	14.179	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:3:	3:	N-2:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NP)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)	S(CNN)	C(NC[6a])(NP)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)	S(CNN)	122.8120	0.000	1	122.8120	0.000	1	123.5715	9.841	4	123.4085	14.179	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:3:	3:	N-2:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])2(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	C(NC[6a])2(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	121.6575	0.759	2	121.6575	0.576	2	123.5715	9.841	4	123.4085	14.179	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	3:3:	3:	N-2:S-2:S-1:	C-3:N-3:	C-3:	C(NN)(SC)(S)	N(CSS)(NCH)	S(CNS)	C(NN)(SC)(S)	N(CSS)(NCH)	S(CNS)	127.6130	0.000	1	127.6130	0.000	1	127.6130	0.000	1	123.4085	14.179	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:N-2:S-1:	C-4:C-3:	C-3:	C(NC)(NN)(S)	N(CC[6a]CH)(CNS)	S(CNN)	C(NC)(NN)(S)	N(CC[6a]CH)(CNS)	S(CNN)	124.2970	0.000	1	124.2970	0.000	1	122.4357	3.417	6	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:N-2:S-1:	C-4:C-3:	C-3:	C(NC)(NN)(S)	N(CH3)(CNS)	S(CNN)	C(NC)(NN)(S)	N(CH3)(CNS)	S(CNN)	124.2680	0.000	1	124.2680	0.000	1	122.4357	3.417	6	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:N-2:S-1:	C-4:C-3:	C-3:	C(NC)2(S)	N(CCCH)(CNS)	S(CNN)	C(NC)2(S)	N(CCCH)(CNS)	S(CNN)	120.8220	1.923	2	120.8220	3.699	2	122.4357	3.417	6	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:N-2:S-1:	C-4:C-3:	C-3:	C(NC)2(S)	N(CCHH)(CNS)	S(CNN)	C(NC)2(S)	N(CCHH)(CNS)	S(CNN)	121.4130	0.000	1	121.4130	0.000	1	122.4357	3.417	6	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:N-2:S-1:	C-4:C-3:	C-3:	C(NC)2(S)	N(CC[6a]HH)(CNS)	S(CNN)	C(NC)2(S)	N(CC[6a]HH)(CNS)	S(CNN)	122.9920	0.000	1	122.9920	0.000	1	122.4357	3.417	6	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:N-2:S-1:	P-4:C-3:	C-3:	C(NC[6a])(NP)(S)	N(POOS)(CNS)	S(CNN)	C(NC[6a])(NP)(S)	N(POOS)(CNS)	S(CNN)	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:2:1:	4:3:	3:	N-2:S-2:S-1:	N-4:C-3:	C-3:	C(NN)(SC)(S)	N(NH3)(CSS)	S(CNS)	C(NN)(SC)(S)	N(NH3)(CSS)	S(CNS)	129.4870	0.000	1	129.4870	0.000	1	129.4870	0.000	1	123.1953	9.020	8	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:	3:	N-2:C-3:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CCC)(S)	N(C[6a]C[6a]2)(CCS)	S(CCN)	C(NC[6a])(CCC)(S)	N(C[6a]C[6a]2)(CCS)	S(CCN)	120.3765	0.118	2	120.3765	0.014	2	120.3765	0.014	2	123.3069	5.423	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:	3:	N-2:N-3:S-1:	C[5]-3:C-3:	C-3:	C(NC[5])(NCH)(S)	N(C[5]O[5]S[5])(CNS)	S(CNN)	C(NC[5])(NCH)(S)	N(C[5]O[5]S[5])(CNS)	S(CNN)	125.6680	0.000	1	125.6680	0.000	1	125.6680	0.000	1	123.3069	5.423	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:	3:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	124.5454	0.816	5	124.5454	0.666	5	123.8069	4.049	7	123.3069	5.423	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:	3:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NHH)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	C(NC[6a])(NHH)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	119.5020	0.000	1	119.5020	0.000	1	123.8069	4.049	7	123.3069	5.423	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	3:3:	3:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NHN)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	C(NC[6a])(NHN)(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	124.4190	0.000	1	124.4190	0.000	1	123.8069	4.049	7	123.3069	5.423	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	2:3:1:	4:3:	3:	N-2:N-3:S-1:	C[6]-4:C-3:	C-3:	C(NC[6])(NCH)(S)	N(C[6]C[6]2H)(CNS)	S(CNN)	C(NC[6])(NCH)(S)	N(C[6]C[6]2H)(CNS)	S(CNN)	123.2660	0.000	1	123.2660	0.000	1	123.2660	0.000	1	123.2660	0.000	1	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	2:3:	3:	N-3:N-2:S-1:	N-2:C-3:	C-3:	C(NC[6a]H)(NN)(S)	N(NC[5])(CNS)	S(CNN)	C(NC[6a]H)(NN)(S)	N(NC[5])(CNS)	S(CNN)	117.6020	0.000	1	117.6020	0.000	1	118.1395	0.578	2	118.1395	0.578	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	2:3:	3:	N-3:N-2:S-1:	N-2:C-3:	C-3:	C(NHH)(NN)(S)	N(NC[5])(CNS)	S(CNN)	C(NHH)(NN)(S)	N(NC[5])(CNS)	S(CNN)	118.6770	0.000	1	118.6770	0.000	1	118.1395	0.578	2	118.1395	0.578	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:1:	3:	C[6a]-3:N-2:S-1:	C-3:H-1:	C-3:	C(C[6a]C[6a]2)(NH)(S)	N(CC[6a]S)(H)	S(CC[6a]N)	C(C[6a]C[6a]2)(NH)(S)	N(CC[6a]S)(H)	S(CC[6a]N)	122.7140	0.000	1	122.7140	0.000	1	122.7140	0.000	1	122.6033	0.036	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:1:	3:	N-3:N-2:S-1:	C-3:H-1:	C-3:	C(NCH)(NH)(S)	N(CNS)(H)	S(CNN)	C(NCH)(NH)(S)	N(CNS)(H)	S(CNN)	122.6603	0.239	3	122.6603	0.057	3	122.5812	0.042	5	122.6033	0.036	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:1:	3:	N-3:N-2:S-1:	C-3:H-1:	C-3:	C(NHN)(NH)(S)	N(CNS)(H)	S(CNN)	C(NHN)(NH)(S)	N(CNS)(H)	S(CNN)	122.4625	0.071	2	122.4625	0.005	2	122.5812	0.042	5	122.6033	0.036	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:2:	3:	N-3:N-2:S-1:	C-3:N-2:	C-3:	C(NCH)(NN)(S)	N(CNS)(NC)	S(CNN)	C(NCH)(NN)(S)	N(CNS)(NC)	S(CNN)	119.0935	0.497	2	119.0935	0.247	2	119.5763	0.854	6	119.5763	0.854	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:2:	3:	N-3:N-2:S-1:	C-3:N-2:	C-3:	C(NHH)(NN)(S)	N(CNS)(NC)	S(CNN)	C(NHH)(NN)(S)	N(CNS)(NC)	S(CNN)	119.8178	1.053	4	119.8178	1.108	4	119.5763	0.854	6	119.5763	0.854	6	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	C-3:N-2:S-1:	C-3:C-3:	C-3:	C(CCH)(NC)(S)	N(CCS)2	S(CCN)	C(CCH)(NC)(S)	N(CCS)2	S(CCN)	122.2410	0.000	1	122.2410	0.000	1	122.2410	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	C-3:N-2:S-1:	C-3:N-3:	C-3:	C(CNN)(NN)(S)	N(CCS)(NHH)	S(CCN)	C(CNN)(NN)(S)	N(CCS)(NHH)	S(CCN)	127.3420	0.000	1	127.3420	0.000	1	127.3420	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	C[5]-3:N-2:S-1:	C-3:C-3:	C-3:	C(C[5]N[5]2)(NC)(S)	N(CC[6a]O)(CC[5]S)	S(CC[5]N)	C(C[5]N[5]2)(NC)(S)	N(CC[6a]O)(CC[5]S)	S(CC[5]N)	132.2980	0.000	1	132.2980	0.000	1	132.2980	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	C[5]-3:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a])(S)	N(C[6a]C[6a]2)(CC[5]S)	S(CC[5]N)	C(C[5]N[5]2)(NC[6a])(S)	N(C[6a]C[6a]2)(CC[5]S)	S(CC[5]N)	133.2850	1.017	4	133.2850	1.034	4	133.2850	1.034	4	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	C[6a]-3:N-2:S-1:	C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(S)	N(C[5]N[5]2)(CC[6a]S)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(S)	N(C[5]N[5]2)(CC[6a]S)	S(CC[6a]N)	129.3340	0.000	1	129.3340	0.000	1	129.3340	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	C[6a]-3:N-2:S-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(S)	N(C[5a]N[5a]2)(CC[6a]S)	S(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(S)	N(C[5a]N[5a]2)(CC[6a]S)	S(CC[6a]N)	128.7830	1.291	2	128.7830	1.667	2	128.7830	1.667	2	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:C-3:	C-3:	C(NCC)(NC)(S)	N(CCO)(CNS)	S(CNN)	C(NCC)(NC)(S)	N(CCO)(CNS)	S(CNN)	117.8880	0.000	1	117.8880	0.000	1	122.1125	9.813	17	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:C-3:	C-3:	C(NCC)(NC)(S)	N(CC[6a]N)(CNS)	S(CNN)	C(NCC)(NC)(S)	N(CC[6a]N)(CNS)	S(CNN)	122.5091	2.148	7	122.5091	4.615	7	122.1125	9.813	17	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:C-3:	C-3:	C(NCC)(NC)(S)	N(CNS)(COO)	S(CNN)	C(NCC)(NC)(S)	N(CNS)(COO)	S(CNN)	118.4860	0.000	1	118.4860	0.000	1	122.1125	9.813	17	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:C-3:	C-3:	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	S(CNN)	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	S(CNN)	119.8533	1.709	4	119.8533	2.922	4	122.1125	9.813	17	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:C-3:	C-3:	C(NC[6a]H)(NC)(S)	N(CNN)(CNS)	S(CNN)	C(NC[6a]H)(NC)(S)	N(CNN)(CNS)	S(CNN)	124.6630	0.000	1	124.6630	0.000	1	122.1125	9.813	17	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:C-3:	C-3:	C(NHH)(NC)(S)	N(CNN)(CNS)	S(CNN)	C(NHH)(NC)(S)	N(CNN)(CNS)	S(CNN)	125.9660	2.915	3	125.9660	8.494	3	122.1125	9.813	17	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C-3:N-3:	C-3:	C(NHH)(NN)(S)	N(CNS)(NCH)	S(CNN)	C(NHH)(NN)(S)	N(CNS)(NCH)	S(CNN)	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C[5]-3:C-3:	C-3:	C(NC[6a]H)(NC[5])(S)	N(C[5]N[5]S[5])(CNS)	S(CNN)	C(NC[6a]H)(NC[5])(S)	N(C[5]N[5]S[5])(CNS)	S(CNN)	125.9080	2.715	5	125.9080	7.373	5	125.9080	7.373	5	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C[5a]-3:C-3:	C-3:	C(NC[6a]H)(NC[5a])(S)	N(C[5a]N[5a]S[5a])(CNS)	S(CNN)	C(NC[6a]H)(NC[5a])(S)	N(C[5a]N[5a]S[5a])(CNS)	S(CNN)	127.6170	0.000	1	127.6170	0.000	1	127.6170	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)	S(CNN)	122.2280	0.511	2	122.2280	0.261	2	122.2280	0.261	2	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N-3:N-2:S-1:	N[5]-3:C-3:	C-3:	C(NC[6a]H)(NN[5])(S)	N(N[5]In[5]C[5])(CNS)	S(CNN)	C(NC[6a]H)(NN[5])(S)	N(N[5]In[5]C[5])(CNS)	S(CNN)	126.5730	0.000	1	126.5730	0.000	1	126.5730	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N[6]-3:N-2:S-1:	C-3:N-3:	C-3:	C(N[6]C[6]2)(NN)(S)	N(CN[6]S)(NCH)	S(CN[6]N)	C(N[6]C[6]2)(NN)(S)	N(CN[6]S)(NCH)	S(CN[6]N)	124.8885	0.339	6	124.8885	0.115	6	124.8885	0.115	6	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	3:3:	3:	N[6]-3:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(N[6]C[6]2)(NC[6a])(S)	N(C[6a]C[6a]2)(CN[6]S)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a])(S)	N(C[6a]C[6a]2)(CN[6]S)	S(CN[6]N)	121.8690	0.000	1	121.8690	0.000	1	121.8690	0.000	1	125.0940	17.771	44	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NCC)(NC)(S)	N(CC[6a]HH)(CNS)	S(CNN)	C(NCC)(NC)(S)	N(CC[6a]HH)(CNS)	S(CNN)	121.3560	0.000	1	121.3560	0.000	1	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NCH)(NC)(S)	N(CCHH)(CNS)	S(CNN)	C(NCH)(NC)(S)	N(CCHH)(CNS)	S(CNN)	120.4400	0.000	1	120.4400	0.000	1	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)	S(CNN)	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)	S(CNN)	122.5890	0.000	1	122.5890	0.000	1	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NC[6a]H)(NC)(S)	N(CCHH)(CNS)	S(CNN)	C(NC[6a]H)(NC)(S)	N(CCHH)(CNS)	S(CNN)	123.9210	0.000	1	123.9210	0.000	1	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NC[6a]H)(NC)(S)	N(CH3)(CNS)	S(CNN)	C(NC[6a]H)(NC)(S)	N(CH3)(CNS)	S(CNN)	121.6970	0.000	1	121.6970	0.000	1	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NHN)(NC)(S)	N(CCHH)(CNS)	S(CNN)	C(NHN)(NC)(S)	N(CCHH)(CNS)	S(CNN)	124.9017	1.469	3	124.9017	2.157	3	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	C-4:C-3:	C-3:	C(NHN)(NC)(S)	N(CH3)(CNS)	S(CNN)	C(NHN)(NC)(S)	N(CH3)(CNS)	S(CNN)	125.8600	0.000	1	125.8600	0.000	1	123.3964	4.237	9	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	3:2:1:	4:3:	3:	N-3:N-2:S-1:	P-4:C-3:	C-3:	C(NCH)(NP)(S)	N(POOS)(CNS)	S(CNN)	C(NCH)(NP)(S)	N(POOS)(CNS)	S(CNN)	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	123.0326	5.090	10	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	4:2:1:	3:3:	3:	C-4:N-2:S-1:	C-3:C-3:	C-3:	C(CCHH)(NC)(S)	N(CCS)2	S(CCN)	C(CCHH)(NC)(S)	N(CCS)2	S(CCN)	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	125.5965	33.464	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	4:2:1:	3:3:	3:	C-4:N-2:S-1:	C[6a]-3:C-3:	C-3:	C(CC[6]CO)(NC[6a])(S)	N(C[6a]C[6a]2)(CCS)	S(CCN)	C(CC[6]CO)(NC[6a])(S)	N(C[6a]C[6a]2)(CCS)	S(CCN)	129.6870	0.000	1	129.6870	0.000	1	129.6870	0.000	1	125.5965	33.464	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	4:2:1:	4:3:	3:	C-4:N-2:S-1:	C[6]-4:C-3:	C-3:	C(CC[6]HH)(NC[6])(S)	N(C[6]C[5,6]C[6]H)(CCS)	S(CCN)	C(CC[6]HH)(NC[6])(S)	N(C[6]C[5,6]C[6]H)(CCS)	S(CCN)	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	120.7575	5.648	2	123.4429	14.375	103	123.4429	14.375	103
930	941	977	0:SP2_SP-NON_SP2	C	N	S	4:2:1:	4:3:	3:	C-4:N-2:S-1:	S-4:C-3:	C-3:	C(CH3)(NS)(S)	N(SO3)(CCS)	S(CCN)	C(CH3)(NS)(S)	N(SO3)(CCS)	S(CCN)	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	120.7575	5.648	2	123.4429	14.375	103	123.4429	14.375	103
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:1:	2:3:	3:2:	C-2:N-2:C-1:	N-2:C-3:	C-3:C-2:	C(CC)(NN)(C)	N(NC[6])(CCC)	C(CCN)(CC)	C(CC)(NN)(C)	N(NC[6])(CCC)	C(CCN)(CC)	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:1:	3:2:	2:3:	C-2:N-2:Br-1:	C-3:O-2:	C-2:C-3:	C(CC)(NO)(Br)	N(CBrC)(OH)	C(CC[6a])(CBrN)	C(CC)(NO)(Br)	N(CBrC)(OH)	C(CC[6a])(CBrN)	127.7580	0.000	1	127.7580	0.000	1	127.7580	0.000	1	127.7580	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:1:	3:3:	3:3:	C-2:N-2:O-1:	C-3:C-3:	C[6]-3:C-3:	C(CC[6])(NC)(O)	N(CCC)(CCO)	C(C[6]C[6]2)(CNO)	C(CC[6])(NC)(O)	N(CCC)(CCO)	C(C[6]C[6]2)(CNO)	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	2:3:	3:1:	C-2:N-2:N-2:	N-2:C-3:	C-3:N-1:	C(CN)(NN)2	N(NC[6a])(CCN)	C(CNN)(N)	C(CN)(NN)2	N(NC[6a])(CCN)	C(CNN)(N)	117.7480	4.872	2	117.7480	23.736	2	117.7480	23.736	2	117.7480	23.736	2	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:1:	3:1:	C-2:C-2:N-2:	C-3:O-1:	C-3:N-1:	C(CN)2(NO)	N(CCC)(O)	C(CCN)(N)	C(CN)2(NO)	N(CCC)(O)	C(CCN)(N)	119.1673	5.969	6	119.1673	35.628	6	119.1673	35.628	6	119.1673	35.628	6	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:2:	3:1:	C-2:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(CN)2(NO)	N(CCC)(OCo)	C(CCN)(N)	C(CN)2(NO)	N(CCC)(OCo)	C(CCN)(N)	120.5760	3.663	2	120.5760	13.416	2	120.5760	13.416	2	120.5760	13.416	2	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:3:	2:3:	N-2:C-2:C-2:	C[6a]-3:C-3:	C-2:C-3:	C(NC[6a])(CC)2	N(C[6a]C[6a]2)(CCC)	C(CC[6a])(CCN)	C(NC[6a])(CC)2	N(C[6a]C[6a]2)(CCC)	C(CC[6a])(CCN)	122.6780	6.518	2	122.6780	42.486	2	122.6780	42.486	2	122.6780	42.486	2	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:3:	3:1:	C-2:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CN)2(NC)	N(CCC)2	C(CCN)(N)	C(CN)2(NC)	N(CCC)2	C(CCN)(N)	121.6262	6.054	6	121.6262	36.645	6	121.6262	36.645	6	119.2380	29.235	12	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:3:	3:1:	C-2:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CN)2(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	C(CN)2(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	120.4140	4.921	2	120.4140	24.221	2	120.4140	24.221	2	119.2380	29.235	12	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:3:	3:1:	C-2:N-2:N-2:	N-3:C-3:	C-3:N-1:	C(CN)(NN)2	N(NC[6a]H)(CCN)	C(CNN)(N)	C(CN)(NN)2	N(NC[6a]H)(CCN)	C(CNN)(N)	114.9650	2.237	2	114.9650	5.005	2	114.9650	5.005	2	119.2380	29.235	12	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:2:2:	3:3:	3:1:	N-2:C-2:S-2:	C[5a]-3:C-3:	C-3:N-1:	C(NC[5a])(CN)(SS)	N(C[5a]C[5a]N[5a])(CCS)	C(CNS)(N)	C(NC[5a])(CN)(SS)	N(C[5a]C[5a]N[5a])(CCS)	C(CNS)(N)	115.1705	1.595	2	115.1705	2.543	2	115.1705	2.543	2	119.2380	29.235	12	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:3:2:	3:2:	3:3:	C-2:C-3:N-2:	C-3:N-2:	N[6]-3:C-3:	C(CN[6])(CCC)(NN)	N(CCC)(NN)	C(N[6]C[6]2)(CCN)	C(CN[6])(CCC)(NN)	N(CCC)(NN)	C(N[6]C[6]2)(CCN)	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:3:2:	3:3:	3:1:	N-2:C-3:C-2:	C[6a]-3:C-3:	C-3:N-1:	C(NC[6a])(CCO)(CN)	N(C[6a]C[6a]2)(CCC)	C(CCN)(N)	C(NC[6a])(CCO)(CN)	N(C[6a]C[6a]2)(CCC)	C(CCN)(N)	127.5910	0.000	1	127.5910	0.000	1	127.5910	0.000	1	127.5910	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	2:3:2:	4:3:	3:1:	N-2:C-3:C-2:	C[5,6]-4:C-3:	C-3:N-1:	C(NC[5,6])(CCO)(CN)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C(CCN)(N)	C(NC[5,6])(CCO)(CN)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C(CCN)(N)	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	2:3:	3:2:	C-3:C-2:N-2:	N-2:C-3:	C-3:N-2:	C(COO)(CN)(NN)	N(NC[6a])(CCC)	C(CCN)(NCu)	C(COO)(CN)(NN)	N(NC[6a])(CCC)	C(CCN)(NCu)	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:1:	3:1:	C-3:C-2:N-2:	C-3:O-1:	C-3:N-1:	C(CNO)(CN)(NO)	N(CCC)(O)	C(CCN)(N)	C(CNO)(CN)(NO)	N(CCC)(O)	C(CCN)(N)	123.7550	0.000	1	123.7550	0.000	1	121.9145	6.775	2	120.3517	3.451	7	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:1:	3:1:	C-3:C-2:N-2:	C-3:O-1:	C-3:N-1:	C(CN[6]O)(CN)(NO)	N(CCC)(O)	C(CCN)(N)	C(CN[6]O)(CN)(NO)	N(CCC)(O)	C(CCN)(N)	120.0740	0.000	1	120.0740	0.000	1	121.9145	6.775	2	120.3517	3.451	7	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:1:	3:1:	C[5a]-3:C-2:N-2:	C-3:O-1:	C-3:N-1:	C(C[5a]N[5a]S[5a])(CN)(NO)	N(CC[5a]C)(O)	C(CC[5a]N)(N)	C(C[5a]N[5a]S[5a])(CN)(NO)	N(CC[5a]C)(O)	C(CC[5a]N)(N)	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.3517	3.451	7	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:1:	3:1:	C[6a]-3:C-2:N-2:	C-3:O-1:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(O)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(O)	C(CC[6a]N)(N)	119.4610	1.376	4	119.4610	1.894	4	119.4610	1.894	4	120.3517	3.451	7	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:1:	3:2:	C-3:C-2:N-2:	C-3:O-1:	C-3:N-2:	C(COO)(CN)(NO)	N(CCC)(O)	C(CCN)(NNi)	C(COO)(CN)(NO)	N(CCC)(O)	C(CCN)(NNi)	124.7650	0.000	1	124.7650	0.000	1	124.7650	0.000	1	124.7650	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(CC[6a]O)(CN)(NO)	N(CCC)(OH)	C(CCN)(N)	C(CC[6a]O)(CN)(NO)	N(CCC)(OH)	C(CCN)(N)	123.4060	0.000	1	123.4060	0.000	1	123.1161	0.349	11	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(CNO)(CN)(NO)	N(CCC)(OH)	C(CCN)(N)	C(CNO)(CN)(NO)	N(CCC)(OH)	C(CCN)(N)	122.8487	0.461	4	122.8487	0.212	4	123.1161	0.349	11	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(CNO)(CN)(NO)	N(CCC)(OSn)	C(CCN)(N)	C(CNO)(CN)(NO)	N(CCC)(OSn)	C(CCN)(N)	122.4795	0.590	2	122.4795	0.349	2	123.1161	0.349	11	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(COO)(CN)(NO)	N(CCC)(OC)	C(CCN)(N)	C(COO)(CN)(NO)	N(CCC)(OC)	C(CCN)(N)	123.6292	0.301	4	123.6292	0.091	4	123.1161	0.349	11	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C[5a]-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(C[5a]N[5a]2)(CN)(NO)	N(CC[5a]C)(OH)	C(CC[5a]N)(N)	C(C[5a]N[5a]2)(CN)(NO)	N(CC[5a]C)(OH)	C(CC[5a]N)(N)	120.9330	0.000	1	120.9330	0.000	1	121.3915	0.420	2	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C[5a]-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(C[5a]N[5a]S[5a])(CN)(NO)	N(CC[5a]C)(OSn)	C(CC[5a]N)(N)	C(C[5a]N[5a]S[5a])(CN)(NO)	N(CC[5a]C)(OSn)	C(CC[5a]N)(N)	121.8500	0.000	1	121.8500	0.000	1	121.3915	0.420	2	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C[6a]-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(OH)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(OH)	C(CC[6a]N)(N)	120.7180	0.433	26	120.7180	0.187	26	120.7866	0.307	27	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:1:	C[6a]-3:C-2:N-2:	C-3:O-2:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(OP)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NO)	N(CC[6a]C)(OP)	C(CC[6a]N)(N)	122.5700	0.000	1	122.5700	0.000	1	120.7866	0.307	27	121.4574	1.393	40	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:2:	3:2:	C[6a]-3:C-2:N-2:	C-3:O-2:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(NO)	N(CC[6a]C)(OC)	C(CC[6a]N)(CC[6a])	C(C[6a]C[6a]2)(CC)(NO)	N(CC[6a]C)(OC)	C(CC[6a]N)(CC[6a])	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	2:3:	N-3:N-2:C-2:	C[6a]-3:C-3:	C-2:C-3:	C(NC[6]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C(CC[6a])(CNN)	C(NC[6]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C(CC[6a])(CNN)	123.3400	0.105	2	123.3400	0.011	2	122.4397	2.437	3	122.4397	2.437	3	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	2:3:	N-3:N-2:C-2:	C[6a]-3:C-3:	C-2:C-3:	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C(CC[6a])(CNN)	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C(CC[6a])(CNN)	120.6390	0.000	1	120.6390	0.000	1	122.4397	2.437	3	122.4397	2.437	3	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CCN)(CN)(NC)	N(CCC)(CCH)	C(CCN)(N)	C(CCN)(CN)(NC)	N(CCC)(CCH)	C(CCN)(N)	120.7280	0.592	3	120.7280	0.351	3	120.8654	3.082	45	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CCN)(CN)(NC)	N(CCC)(CHN)	C(CCN)(N)	C(CCN)(CN)(NC)	N(CCC)(CHN)	C(CCN)(N)	120.6820	0.455	2	120.6820	0.207	2	120.8654	3.082	45	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CCN)(CN)(NC)	N(CCC)2	C(CCN)(N)	C(CCN)(CN)(NC)	N(CCC)2	C(CCN)(N)	114.6565	0.503	2	114.6565	0.253	2	120.8654	3.082	45	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CCN)(CN)(NC)	N(CC[5a]H)(CCC)	C(CCN)(N)	C(CCN)(CN)(NC)	N(CC[5a]H)(CCC)	C(CCN)(N)	121.2670	0.355	2	121.2670	0.126	2	120.8654	3.082	45	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CCN)(CN)(NC)	N(CC[6a]H)(CCC)	C(CCN)(N)	C(CCN)(CN)(NC)	N(CC[6a]H)(CCC)	C(CCN)(N)	121.5201	0.649	33	121.5201	0.421	33	120.8654	3.082	45	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(CC[6a]H)(CN)(NC)	N(CC[6a]2)(CCC)	C(CCN)(N)	C(CC[6a]H)(CN)(NC)	N(CC[6a]2)(CCC)	C(CCN)(N)	117.7950	0.656	3	117.7950	0.430	3	120.8654	3.082	45	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CCO)(CN)(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	C(CCO)(CN)(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	122.9373	0.788	6	122.9373	0.620	6	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CC[6a]O)(CN)(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	C(CC[6a]O)(CN)(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	121.8205	0.293	2	121.8205	0.086	2	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CNN)(CN)(NN)	N(NC[6a]Mn)(CCC)	C(CCN)(N)	C(CNN)(CN)(NN)	N(NC[6a]Mn)(CCC)	C(CCN)(N)	112.2900	0.000	2	112.2900	0.000	2	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CNO)(CN)(NN)	N(NC[6a]Co)(CCC)	C(CCN)(N)	C(CNO)(CN)(NN)	N(NC[6a]Co)(CCC)	C(CCN)(N)	112.6350	0.000	1	112.6350	0.000	1	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CNO)(CN)(NN)	N(NC[6a]Cu)(CCC)	C(CCN)(N)	C(CNO)(CN)(NN)	N(NC[6a]Cu)(CCC)	C(CCN)(N)	113.0050	0.000	1	113.0050	0.000	1	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(CNO)(CN)(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	C(CNO)(CN)(NN)	N(NC[6a]H)(CCC)	C(CCN)(N)	122.8040	0.000	1	122.8040	0.000	1	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(COO)(CN)(NN)	N(NC[5a]H)(CCC)	C(CCN)(N)	C(COO)(CN)(NN)	N(NC[5a]H)(CCC)	C(CCN)(N)	115.2860	0.000	1	115.2860	0.000	1	119.2554	23.536	14	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C[5a]-3:C-2:N-2:	C-3:N-3:	C-3:N-1:	C(C[5a]N[5a]O[5a])(CN)(NN)	N(CC[5a]C)(NC[6a]H)	C(CC[5a]N)(N)	C(C[5a]N[5a]O[5a])(CN)(NN)	N(CC[5a]C)(NC[6a]H)	C(CC[5a]N)(N)	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C[6a]-3:C-2:N-2:	C-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NC)	N(CC[6a]C)(CCH)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NC)	N(CC[6a]C)(CCH)	C(CC[6a]N)(N)	121.4830	0.000	1	121.4830	0.000	1	121.4830	0.000	1	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C[6a]-3:C-2:N-2:	C-3:N-3:	C-3:N-1:	C(C[6a]C[6a]2)(CN)(NN)	N(CC[6a]C)(NCC)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(CN)(NN)	N(CC[6a]C)(NCC)	C(CC[6a]N)(N)	122.8840	0.000	1	122.8840	0.000	1	119.5497	28.728	3	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C[6a]-3:C-2:N-2:	C-3:N-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CN)(NN)	N(CC[6a]C)(NC[6a]H)	C(CC[6a]N)(N)	C(C[6a]C[6a]N[6a])(CN)(NN)	N(CC[6a]C)(NC[6a]H)	C(CC[6a]N)(N)	117.8825	6.386	2	117.8825	40.779	2	119.5497	28.728	3	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C[6a]-3:N-2:C-2:	C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]N)(N)	117.7620	5.341	4	117.7620	28.525	4	119.4176	35.099	5	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	C[6a]-3:N-2:C-2:	C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]N[6a])(CC[6a]C)	C(CC[6a]N)(N)	C(C[6a]C[6a]2)(NC[6a])(CN)	N(C[6a]C[6a]N[6a])(CC[6a]C)	C(CC[6a]N)(N)	126.0400	0.000	1	126.0400	0.000	1	119.4176	35.099	5	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	N-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(NFeN)(CN)(NN)	N(NC[5]Fe)(CCN)	C(CNN)(N)	C(NFeN)(CN)(NN)	N(NC[5]Fe)(CCN)	C(CNN)(N)	121.4620	0.000	1	121.4620	0.000	1	120.0985	3.718	2	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	N-3:C-2:N-2:	N-3:C-3:	C-3:N-1:	C(NFeN)(CN)(NN)	N(NC[5a]Fe)(CCN)	C(CNN)(N)	C(NFeN)(CN)(NN)	N(NC[5a]Fe)(CCN)	C(CNN)(N)	118.7350	0.000	1	118.7350	0.000	1	120.0985	3.718	2	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:1:	N-3:N-2:C-2:	C[6a]-3:C-3:	C-3:N-1:	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)	C(CNN)(N)	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)	C(CNN)(N)	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	120.3404	10.127	72	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:2:	C-3:C-2:N-2:	C-3:C-3:	C-3:N-2:	C(COO)(CN)(NC)	N(CCC)(CCO)	C(CCN)(NC)	C(COO)(CN)(NC)	N(CCC)(CCO)	C(CCN)(NC)	122.2040	0.000	1	122.2040	0.000	1	122.2040	0.000	1	120.1515	8.426	2	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	3:3:	3:2:	N-3:N-2:C-2:	C[6a]-3:C-3:	C-3:C-2:	C(NC[6a]Li)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C(CNN)(CSi)	C(NC[6a]Li)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	C(CNN)(CSi)	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	120.1515	8.426	2	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	3:2:2:	4:3:	2:3:	N-3:C-2:N-2:	C-4:C-3:	C-2:C-3:	C(NCH)(CC)(NC)	N(CCCH)(CCN)	C(CC[6a])(CNN)	C(NCH)(CC)(NC)	N(CCCH)(CCN)	C(CC[6a])(CNN)	124.3210	0.000	1	124.3210	0.000	1	124.3210	0.000	1	124.3210	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	983	0:SP2_SP1_SP2	C	N	C	4:2:2:	3:3:	2:3:	C-4:C-2:N-2:	N-3:C-3:	C-2:C-3:	C(CH3)(CC)(NN)	N(NC[6a]H)(CCC)	C(CC[6a])(CCN)	C(CH3)(CC)(NN)	N(NC[6a]H)(CCC)	C(CC[6a])(CCN)	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	120.6360	11.194	159	120.6360	11.194	159
930	941	992	0:SP2_SP2_SP3	C	N	P	3:2:4:	3:3:	4:4:4:3:	N-3:N-2:P-4:	C[6a]-3:C-3:	B-4:C-4:C-4:C-3:	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)	P(BH3)(CC3)2(CNN)	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)	P(BH3)(CC3)2(CNN)	117.6630	0.768	2	117.6630	0.590	2	117.6630	0.590	2	117.6630	0.590	2	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	3:4:2:	3:2:	3:2:2:1:	C[6a]-3:P-4:N-2:	C-3:N-2:	C-3:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NN)	N(CC[6a]P)(NS)	P(CC[6a]N)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NN)	N(CC[6a]P)(NS)	P(CC[6a]N)(OC)2(O)	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	3:4:2:	3:2:	3:3:3:3:	C[6a]-3:P-4:N-2:	C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(NO)	N(CC[6a]P)(OB)	P(C[6a]C[6a]2)3(CC[6a]N)	C(C[6a]C[6a]2)(PC[6a]3)(NO)	N(CC[6a]P)(OB)	P(C[6a]C[6a]2)3(CC[6a]N)	124.5377	1.160	3	124.5377	1.345	3	124.5377	1.345	3	124.5377	1.345	3	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	3:4:2:	3:2:	3:3:3:4:	C[6a]-3:P-4:N-2:	C-3:O-2:	C[6a]-3:C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	N(CC[6a]P)(OB)	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	C(C[6a]C[6a]2)(PC[6a]2C)(NO)	N(CC[6a]P)(OB)	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:2:2:	3:3:	3:3:3:3:	P-4:N-2:O-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C(PC[6a]2C)(NC[6a])(OLi)	N(C[6a]C[6a]2)(COP)	P(C[6a]C[6a]2)2(CHP)(CNO)	C(PC[6a]2C)(NC[6a])(OLi)	N(C[6a]C[6a]2)(COP)	P(C[6a]C[6a]2)2(CHP)(CNO)	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	116.0960	1.296	2	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:2:2:	3:3:	3:3:3:3:	P-4:N-2:O-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(NC[6a])(OAl)	N(C[6a]C[6a]2)(COP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CNO)	C(PC[6a]2N)(NC[6a])(OAl)	N(C[6a]C[6a]2)(COP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CNO)	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	116.0960	1.296	2	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:2:2:	3:3:	4:4:3:2:	P-4:N-2:S-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:S-2:	C(PC[6]2S)(NC[6a])(SCu)	N(C[6a]C[6a]2)(CPS)	P(C[6]C[6]2H)2(CNS)(SCu)	C(PC[6]2S)(NC[6a])(SCu)	N(C[6a]C[6a]2)(CPS)	P(C[6]C[6]2H)2(CNS)(SCu)	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:2:3:	3:3:	3:3:3:3:	P-4:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(NC[6a])(NZnC)	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(NZnC)(CNN)	C(PC[6a]2N)(NC[6a])(NZnC)	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(NZnC)(CNN)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	3:3:	4:4:4:3:	P-4:N-3:N-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:B-4:C-3:	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(BH3)(CNN)	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(BH3)(CNN)	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	3:3:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	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)	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)	P(C[6a]C[6a]2)2(CNN)(S)	129.1660	0.000	2	129.1660	0.000	2	129.1660	0.000	2	128.5625	0.486	4	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	3:3:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	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)	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)	P(C[6a]C[6a]2)2(CNN)(Se)	127.9590	0.000	2	127.9590	0.000	2	127.9590	0.000	2	128.5625	0.486	4	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	3:3:3:2:	P-4:S-3:N-2:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)(SRu2)(NC)	N(CCHH)(CPS)	P(C[6a]C[6a]2)2(CNS)(NP)	C(PC[6a]2N)(SRu2)(NC)	N(CCHH)(CPS)	P(C[6a]C[6a]2)2(CNS)(NP)	117.8545	1.671	2	117.8545	2.792	2	117.8545	2.792	2	117.8545	2.792	2	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	3:3:4:3:	P-4:N-3:N-2:	C[6]-4:C-3:	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)	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)	P(C[6a]C[6a]2)2(BH3)(CNN)	125.3540	0.000	1	125.3540	0.000	1	125.3540	0.000	1	125.3540	0.000	1	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	4:4:3:1:	P-4:N-3:N-2:	C-4:C-3:	C[6]-4:C[6]-4:C-3:S-1:	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)	P(C[6]C[6]2H)2(CNN)(S)	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)	P(C[6]C[6]2H)2(CNN)(S)	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	111.8040	0.526	3	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	4:4:3:1:	P-4:N-3:N-2:	C-4:C-3:	C[6]-4:C[6]-4:C-3:Se-1:	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)	P(C[6]C[6]2H)2(CNN)(Se)	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)	P(C[6]C[6]2H)2(CNN)(Se)	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	111.8040	0.526	3	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:3:2:	4:3:	4:4:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	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)	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)	P(C[6]C[6]2H)2(CNN)(Se)	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.8040	0.526	3	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:4:2:	3:1:	3:2:2:1:	C-4:P-4:N-2:	C-3:N-1:	C-3:O-2:O-2:O-1:	C(CC[6a]CO)(PO3)(NN)	N(CCP)(N)	P(CCN)(OC)2(O)	C(CC[6a]CO)(PO3)(NN)	N(CCP)(N)	P(CCN)(OC)2(O)	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	117.4590	4.476	2	119.2355	39.256	24	119.2355	39.256	24
930	941	992	0:SP2_SP2_SP3	C	N	P	4:4:2:	3:1:	3:2:2:1:	C[6]-4:P-4:N-2:	C-3:N-1:	C-3:O-2:O-2:O-1:	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	N(CC[6]P)(N)	P(CC[6]N)(OC)2(O)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	N(CC[6]P)(N)	P(CC[6]N)(OC)2(O)	115.9630	0.000	1	115.9630	0.000	1	115.9630	0.000	1	117.4590	4.476	2	119.2355	39.256	24	119.2355	39.256	24
930	944	944	0:SP2_SP-NON_SP-NON	C	I	I	2:1:1:	3:	3:	C-2:I-1:I-1:	C-3:	C-3:	C(CC)(I)2	I(CCI)	I(CCI)	C(CC)(I)2	I(CCI)	I(CCI)	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	113.4769	3.015	27	113.4769	3.015	27
930	944	944	0:SP2_SP-NON_SP-NON	C	I	I	3:1:1:	3:	3:	C-3:I-1:I-1:	C-3:	C-3:	C(CHN)(I)2	I(CCI)	I(CCI)	C(CHN)(I)2	I(CCI)	I(CCI)	117.0715	0.965	2	117.0715	0.932	2	113.2830	2.080	26	113.2830	2.080	26	113.4769	3.015	27	113.4769	3.015	27
930	944	944	0:SP2_SP-NON_SP-NON	C	I	I	3:1:1:	3:	3:	C-3:I-1:I-1:	C-3:	C-3:	C(CII)(I)2	I(CCI)	I(CCI)	C(CII)(I)2	I(CCI)	I(CCI)	112.9481	0.948	23	112.9481	0.898	23	113.2830	2.080	26	113.2830	2.080	26	113.4769	3.015	27	113.4769	3.015	27
930	944	944	0:SP2_SP-NON_SP-NON	C	I	I	3:1:1:	3:	3:	C-3:I-1:I-1:	C-3:	C-3:	C(CN[6]N)(I)2	I(CCI)	I(CCI)	C(CN[6]N)(I)2	I(CCI)	I(CCI)	113.4090	0.000	1	113.4090	0.000	1	113.2830	2.080	26	113.2830	2.080	26	113.4769	3.015	27	113.4769	3.015	27
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	2:1:1:	3:	3:	C-2:H-1:I-1:	C-3:	C-3:	C(CC[6])(H)(I)	I(CCH)	H(CCI)	C(CC[6])(H)(I)	I(CCH)	H(CCI)	120.0955	0.247	2	120.0955	0.061	2	120.0955	0.061	2	120.0955	0.061	2	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CCC)(H)(I)	I(CCH)	H(CCI)	C(CCC)(H)(I)	I(CCH)	H(CCI)	117.4938	0.329	6	117.4938	0.108	6	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CCH)(H)(I)	I(CCH)	H(CCI)	C(CCH)(H)(I)	I(CCH)	H(CCI)	117.2672	1.792	9	117.2672	3.212	9	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CCI)(H)(I)	I(CCH)	H(CCI)	C(CCI)(H)(I)	I(CCH)	H(CCI)	118.1963	0.220	3	118.1963	0.048	3	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6]H)(H)(I)	I(CCH)	H(CCI)	C(CC[6]H)(H)(I)	I(CCH)	H(CCI)	118.3450	0.427	2	118.3450	0.182	2	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6a]2)(H)(I)	I(CCH)	H(CCI)	C(CC[6a]2)(H)(I)	I(CCH)	H(CCI)	117.4270	0.000	1	117.4270	0.000	1	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6a]C)(H)(I)	I(CCH)	H(CCI)	C(CC[6a]C)(H)(I)	I(CCH)	H(CCI)	117.3070	0.081	2	117.3070	0.006	2	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6a]C[5])(H)(I)	I(CCH)	H(CCI)	C(CC[6a]C[5])(H)(I)	I(CCH)	H(CCI)	107.5030	0.000	1	107.5030	0.000	1	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6a]Cl)(H)(I)	I(CCH)	H(CCI)	C(CC[6a]Cl)(H)(I)	I(CCH)	H(CCI)	118.7205	0.339	2	118.7205	0.115	2	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6a]H)(H)(I)	I(CCH)	H(CCI)	C(CC[6a]H)(H)(I)	I(CCH)	H(CCI)	118.1903	0.406	6	118.1903	0.164	6	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CC[6a]N[5a])(H)(I)	I(CCH)	H(CCI)	C(CC[6a]N[5a])(H)(I)	I(CCH)	H(CCI)	118.7830	0.000	1	118.7830	0.000	1	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C-3:H-1:I-1:	C-3:	C-3:	C(CN[5a]H)(H)(I)	I(CCH)	H(CCI)	C(CN[5a]H)(H)(I)	I(CCH)	H(CCI)	117.3860	0.000	1	117.3860	0.000	1	117.4689	4.191	34	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[5]-3:H-1:I-1:	C-3:	C-3:	C(C[5]C[5,5]C[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	C(C[5]C[5,5]C[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	118.1030	0.000	1	118.1030	0.000	1	118.6701	1.560	7	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[5]-3:H-1:I-1:	C-3:	C-3:	C(C[5]C[5]N[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	C(C[5]C[5]N[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	117.4790	0.113	2	117.4790	0.013	2	118.6701	1.560	7	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[5]-3:H-1:I-1:	C-3:	C-3:	C(C[5]C[5]O[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	C(C[5]C[5]O[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	118.9713	0.930	3	118.9713	0.865	3	118.6701	1.560	7	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[5]-3:H-1:I-1:	C-3:	C-3:	C(C[5]N[5,6a]C[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	C(C[5]N[5,6a]C[5])(H)(I)	I(CC[5]H)	H(CC[5]I)	120.7160	0.000	1	120.7160	0.000	1	118.6701	1.560	7	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[5a]-3:H-1:I-1:	C-3:	C-3:	C(C[5a]C[5a,6a]N[5a,5a])(H)(I)	I(CC[5a]H)	H(CC[5a]I)	C(C[5a]C[5a,6a]N[5a,5a])(H)(I)	I(CC[5a]H)	H(CC[5a]I)	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[6]-3:H-1:I-1:	C-3:	C-3:	C(C[6]C[6]2)(H)(I)	I(CC[6]H)	H(CC[6]I)	C(C[6]C[6]2)(H)(I)	I(CC[6]H)	H(CC[6]I)	117.3000	0.000	1	117.3000	0.000	1	117.8570	0.233	3	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[6]-3:H-1:I-1:	C-3:	C-3:	C(C[6]C[6]S[6])(H)(I)	I(CC[6]H)	H(CC[6]I)	C(C[6]C[6]S[6])(H)(I)	I(CC[6]H)	H(CC[6]I)	118.1080	0.000	1	118.1080	0.000	1	117.8570	0.233	3	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	951	0:SP2_SP-NON_SP-NON	C	I	H	3:1:1:	3:	3:	C[6]-3:H-1:I-1:	C-3:	C-3:	C(C[6]N[6,6]C[6])(H)(I)	I(CC[6]H)	H(CC[6]I)	C(C[6]N[6,6]C[6])(H)(I)	I(CC[6]H)	H(CC[6]I)	118.1630	0.000	1	118.1630	0.000	1	117.8570	0.233	3	117.6682	3.574	45	117.7714	3.666	47	117.7714	3.666	47
930	944	952	0:SP2_SP-NON_SP3	C	I	S	3:4:1:	3:	3:4:4:3:	C[5]-3:S-4:I-1:	C-3:	C-3:C-4:C-4:C-3:	C(C[5]C[5,6]C[5])(SC3)(I)	I(CC[5]S)	S(CC[5]I)(CH3)2(CHH)	C(C[5]C[5,6]C[5])(SC3)(I)	I(CC[5]S)	S(CC[5]I)(CH3)2(CHH)	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.3335	0.016	2	110.3335	0.016	2
930	944	952	0:SP2_SP-NON_SP3	C	I	S	3:4:1:	3:	3:4:4:4:	C[5]-3:S-4:I-1:	C-3:	C-3:C-4:C-4:C-4:	C(C[5]C[5,6]C[5])(SC3)(I)	I(CC[5]S)	S(CC[5]I)(CH3)3	C(C[5]C[5,6]C[5])(SC3)(I)	I(CC[5]S)	S(CC[5]I)(CH3)3	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.3335	0.016	2	110.3335	0.016	2
930	944	983	0:SP2_SP-NON_SP1	C	I	C	2:1:1:	3:	3:3:	C-2:H-1:I-1:	C-3:	C[6]-3:C-3:	C(CC[6])(H)(I)	I(CCH)	C(C[6]C[6]2)(CHI)	C(CC[6])(H)(I)	I(CCH)	C(C[6]C[6]2)(CHI)	119.8385	0.327	2	119.8385	0.107	2	119.8385	0.107	2	120.2805	13.200	4	116.6587	22.784	8	116.6587	22.784	8
930	944	983	0:SP2_SP-NON_SP1	C	I	C	2:1:1:	3:	3:3:	C-2:I-1:I-1:	C-3:	C-3:C-3:	C(CC)(I)2	I(CCI)	C(CC[6a]P[6])(CII)	C(CC)(I)2	I(CCI)	C(CC[6a]P[6])(CII)	120.7225	6.222	2	120.7225	38.711	2	120.7225	38.711	2	120.2805	13.200	4	116.6587	22.784	8	116.6587	22.784	8
930	944	983	0:SP2_SP-NON_SP1	C	I	C	3:2:1:	3:	2:3:	C-3:C-2:I-1:	C-3:	C-2:C-3:	C(CC[6a]I)(CC)(I)	I(CCC)	C(CC[6a])(CCI)	C(CC[6a]I)(CC)(I)	I(CCC)	C(CC[6a])(CCI)	111.7340	0.184	2	111.7340	0.034	2	111.9307	0.133	3	111.9307	0.133	3	116.6587	22.784	8	116.6587	22.784	8
930	944	983	0:SP2_SP-NON_SP1	C	I	C	3:2:1:	3:	2:3:	C-3:C-2:I-1:	C-3:	C-2:C-3:	C(CC[6a]S)(CC)(I)	I(CCC)	C(CC[6a])(CCI)	C(CC[6a]S)(CC)(I)	I(CCC)	C(CC[6a])(CCI)	112.3240	0.000	1	112.3240	0.000	1	111.9307	0.133	3	111.9307	0.133	3	116.6587	22.784	8	116.6587	22.784	8
930	944	983	0:SP2_SP-NON_SP1	C	I	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:I-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(I)	I(CC[6a]C)	C(CC[6a]I)(CCC)	C(C[6a]C[6a]2)(CC)(I)	I(CC[6a]C)	C(CC[6a]I)(CCC)	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.6587	22.784	8	116.6587	22.784	8
930	945	945	0:SP2_SP3_SP3	C	P	P	3:3:3:	3:3:3:	3:3:3:	C[5]-3:P-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(PC[6a]2)2	P(C[6a]C[6a]2)2(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]P)	C(C[5]C[5,6a]2)(PC[6a]2)2	P(C[6a]C[6a]2)2(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]P)	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	C-3:P-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]H)(PC[6a]C)(H)	P(C[6a]C[6a]2)(CCH)2	H(CCP)	C(CC[6a]H)(PC[6a]C)(H)	P(C[6a]C[6a]2)(CCH)2	H(CCP)	116.5010	0.795	2	116.5010	0.632	2	116.5010	0.632	2	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	C-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]H)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(CC[6a]H)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	112.2567	0.570	3	112.2567	0.325	3	117.3055	30.741	6	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	C-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]O)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(CC[6a]O)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	122.3543	0.234	3	122.3543	0.055	3	117.3055	30.741	6	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	C[5]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5]S[5])(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]P)	C(C[5]N[5]S[5])(PC[6a]2)(H)	P(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]P)	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(PC[6a]C)(CHH)(H)	P(C[6a]C[6a]2)(CCH)2	H(CCP)	C(PC[6a]C)(CHH)(H)	P(C[6a]C[6a]2)(CCH)2	H(CCP)	118.5400	2.546	2	118.5400	6.480	2	118.5400	6.480	2	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(PC[6a]2)(CBH)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(PC[6a]2)(CBH)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	117.6060	0.000	1	117.6060	0.000	1	117.7504	3.352	5	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(PC[6a]2)(CC[5]H)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(PC[6a]2)(CC[5]H)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	116.5890	0.000	1	116.5890	0.000	1	117.7504	3.352	5	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(PC[6a]2)(CC[6]H)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(PC[6a]2)(CC[6]H)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	117.2070	0.000	1	117.2070	0.000	1	117.7504	3.352	5	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(PC[6a]2)(CHH)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(PC[6a]2)(CHH)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	120.9150	0.000	1	120.9150	0.000	1	117.7504	3.352	5	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:3:3:	3:	P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(PC[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	C(PC[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	H(CCP)	116.4350	0.000	1	116.4350	0.000	1	117.7504	3.352	5	117.5813	12.007	16	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:4:4:	3:	C[5]-3:P-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]N[5]2)(PCC)(H)	P(CC[5]H)(CCCH)2	H(CC[5]P)	C(C[5]N[5]2)(PCC)(H)	P(CC[5]H)(CCCH)2	H(CC[5]P)	115.9398	0.634	4	115.9398	0.402	4	115.9398	0.402	4	116.4136	1.424	5	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	3:4:4:	3:	C[6]-3:P-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]N[6])(PCC)(H)	P(CC[6]H)(CC3)2	H(CC[6]P)	C(C[6]C[6]N[6])(PCC)(H)	P(CC[6]H)(CC3)2	H(CC[6]P)	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	116.4136	1.424	5	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:3:1:	4:4:3:	3:	C-3:P-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(CC[6a]S)(PC[6]2)(H)	P(C[6]C[6]2H)2(CCH)	H(CCP)	C(CC[6a]S)(PC[6]2)(H)	P(C[6]C[6]2H)2(CCH)	H(CCP)	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:4:1:	4:4:3:	3:	P-3:C-4:H-1:	C[3x6]-4:Ga-4:C-3:	C-3:	C(PC[3x6]Ga)(CC3)(H)	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	H(CCP)	C(PC[3x6]Ga)(CC3)(H)	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	H(CCP)	114.1770	0.000	1	114.1770	0.000	1	114.1770	0.000	1	113.8865	0.169	2	117.0177	9.242	24	117.0177	9.242	24
930	945	951	0:SP2_SP-NON_SP3	C	P	H	3:4:1:	4:4:3:	3:	P-3:C-4:H-1:	Ga-4:C-4:C-3:	C-3:	C(PGaC)(CC3)(H)	P(GaCl3)(CC3)(CCH)	H(CCP)	C(PGaC)(CC3)(H)	P(GaCl3)(CC3)(CCH)	H(CCP)	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	113.8865	0.169	2	117.0177	9.242	24	117.0177	9.242	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:1:1:	3:1:1:	N-3:P-3:O-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)(PHH)(O)	P(CNO)(H)2	N(COP)(H)2	C(NHH)(PHH)(O)	P(CNO)(H)2	N(COP)(H)2	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:1:1:	3:2:1:	N-3:P-3:O-1:	C-3:H-1:H-1:	C-3:N-2:H-1:	C(NHN)(PHH)(O)	P(CNO)(H)2	N(COP)(NH)(H)	C(NHN)(PHH)(O)	P(CNO)(H)2	N(COP)(NH)(H)	116.4565	0.487	2	116.4565	0.237	2	116.4565	0.237	2	116.4565	0.237	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:1:1:	3:3:1:	N-3:P-3:O-1:	C-3:H-1:H-1:	C-3:N-3:H-1:	C(NHN)(PHH)(O)	P(CNO)(H)2	N(COP)(NHH)(H)	C(NHN)(PHH)(O)	P(CNO)(H)2	N(COP)(NHH)(H)	114.2570	0.641	2	114.2570	0.410	2	114.2570	0.410	2	114.2570	0.410	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:1:1:	4:3:1:	N-3:P-3:O-1:	C-3:H-1:H-1:	C-4:C-3:H-1:	C(NCH)(PHH)(O)	P(CNO)(H)2	N(CCHH)(COP)(H)	C(NCH)(PHH)(O)	P(CNO)(H)2	N(CCHH)(COP)(H)	118.4710	0.000	1	118.4710	0.000	1	117.6800	1.251	2	117.0783	1.712	3	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:1:1:	4:3:1:	N-3:P-3:O-1:	C-3:H-1:H-1:	C-4:C-3:H-1:	C(NCH)(PHH)(O)	P(CNO)(H)2	N(CC[5]HH)(COP)(H)	C(NCH)(PHH)(O)	P(CNO)(H)2	N(CC[5]HH)(COP)(H)	116.8890	0.000	1	116.8890	0.000	1	117.6800	1.251	2	117.0783	1.712	3	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:1:1:	4:3:1:	N-3:P-3:O-1:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(PHH)(O)	P(CNO)(H)2	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PHH)(O)	P(CNO)(H)2	N(C[5]C[5]2Fe)(COP)(H)	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	117.0783	1.712	3	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:3:3:	3:4:3:	P-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-4:C-3:	C(PC[6a]2)(NB[5]C)(O)	P(C[6a]C[6a]2)2(CNO)	N(B[5]O[5]2)(CC3)(COP)	C(PC[6a]2)(NB[5]C)(O)	P(C[6a]C[6a]2)2(CNO)	N(B[5]O[5]2)(CC3)(COP)	112.6370	0.000	1	112.6370	0.000	1	116.0525	23.331	2	116.0525	23.331	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:3:3:	3:4:3:	P-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-4:C-3:	C(PC[6a]2)(NB[5]C)(O)	P(C[6a]C[6a]2)2(CNO)	N(B[5]O[5]2)(CCHH)(COP)	C(PC[6a]2)(NB[5]C)(O)	P(C[6a]C[6a]2)2(CNO)	N(B[5]O[5]2)(CCHH)(COP)	119.4680	0.000	1	119.4680	0.000	1	116.0525	23.331	2	116.0525	23.331	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:3:3:	4:3:1:	P-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(PC[6a]2)(NCH)(O)	P(C[6a]C[6a]2)2(CNO)	N(CCHH)(COP)(H)	C(PC[6a]2)(NCH)(O)	P(C[6a]C[6a]2)2(CNO)	N(CCHH)(COP)(H)	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	114.2687	4.161	3	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:3:3:	4:3:1:	P-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(PC[6a]2)(NC[5]H)(O)	P(C[6a]C[6a]2)2(CNO)	N(C[5]C[5]2Fe)(COP)(H)	C(PC[6a]2)(NC[5]H)(O)	P(C[6a]C[6a]2)2(CNO)	N(C[5]C[5]2Fe)(COP)(H)	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	114.2687	4.161	3	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:1:	3:3:3:	4:3:1:	P-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(PC[6a]2)(NC[6]H)(O)	P(C[6a]C[6a]2)2(CNO)	N(C[6]C[6]2H)(COP)(H)	C(PC[6a]2)(NC[6]H)(O)	P(C[6a]C[6a]2)2(CNO)	N(C[6]C[6]2H)(COP)(H)	113.9940	0.000	1	113.9940	0.000	1	113.9940	0.000	1	114.2687	4.161	3	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	3:3:3:	3:3:1:	N-3:P-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(PC[6a]2)(NC[6a])	P(C[6a]C[6a]2)2(CNN)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6a]2)(NC[6a])	P(C[6a]C[6a]2)2(CNN)	N(C[6a]C[6a]2)(CNP)(H)	118.5000	0.000	1	118.5000	0.000	1	118.5000	0.000	1	118.5000	0.000	1	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	3:3:3:	3:3:3:	N-3:P-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	P(C[6a]C[6a]2)2(CNN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	P(C[6a]C[6a]2)2(CNN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	3:3:3:	3:4:3:	P-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-4:C-3:	C(PC[6a]2)(NB[5]C)(NC)	P(C[6a]C[6a]2)2(CNN)	N(B[5]O[5]2)(CCCH)(CNP)	C(PC[6a]2)(NB[5]C)(NC)	P(C[6a]C[6a]2)2(CNN)	N(B[5]O[5]2)(CCCH)(CNP)	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	3:3:3:	4:3:1:	P-3:N-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(PC[6a]2)(NC[5]H)(NC[6a])	P(C[6a]C[6a]2)2(CNN)	N(C[5]C[5]2H)(CNP)(H)	C(PC[6a]2)(NC[5]H)(NC[6a])	P(C[6a]C[6a]2)2(CNN)	N(C[5]C[5]2H)(CNP)(H)	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	3:4:3:	4:3:1:	P-3:N-3:N-2:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:	C(PC[6a]C)(NCH)(NC)	P(C[6a]C[6a]2)(CCHH)(CNN)	N(CCCH)(CNP)(H)	C(PC[6a]C)(NCH)(NC)	P(C[6a]C[6a]2)(CCHH)(CNN)	N(CCCH)(CNP)(H)	115.2150	0.817	2	115.2150	0.668	2	115.2150	0.668	2	115.2150	0.668	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	4:4:3:	3:3:1:	N-3:P-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(PC[6]2)(NC[6a])	P(C[6]C[6]2H)2(CNN)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6]2)(NC[6a])	P(C[6]C[6]2H)2(CNN)	N(C[6a]C[6a]2)(CNP)(H)	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	116.6805	5.982	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	4:4:3:	3:3:1:	N-3:P-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:In-1:	C(NC[6a]In)(PC[6]2)(NC[6a])	P(C[6]C[6]2H)2(CNN)	N(C[6a]C[6a]2)(CNP)(In)	C(NC[6a]In)(PC[6]2)(NC[6a])	P(C[6]C[6]2H)2(CNN)	N(C[6a]C[6a]2)(CNP)(In)	118.4100	0.000	1	118.4100	0.000	1	118.4100	0.000	1	116.6805	5.982	2	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:2:	4:4:3:	4:3:1:	P-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-4:C-3:H-1:	C(PC[6]2)(NCH)(NC)	P(C[6]C[6]2H)2(CNN)	N(CCCH)(CNP)(H)	C(PC[6]2)(NCH)(NC)	P(C[6]C[6]2H)2(CNN)	N(CCCH)(CNP)(H)	116.1970	0.000	1	116.1970	0.000	1	116.1970	0.000	1	116.1970	0.000	1	116.3403	6.265	24	116.3403	6.265	24
930	945	956	0:SP2_SP2_SP3	C	P	N	3:3:3:	4:3:2:	4:4:3:	N-3:N-3:P-3:	C-4:C-3:S-2:	C-4:C-4:C-3:	C(NCC)2(PCS)	P(CSi2H)(CNN)(SW)	N(CH3)2(CNP)	C(NCC)2(PCS)	P(CSi2H)(CNN)(SW)	N(CH3)2(CNP)	120.5720	5.578	2	120.5720	31.110	2	120.5720	31.110	2	120.5720	31.110	2	116.3403	6.265	24	116.3403	6.265	24
930	945	977	0:SP2_SP-NON_SP3	C	P	S	3:2:1:	4:4:3:	3:	P-3:S-2:S-1:	C-4:C-4:C-3:	C-3:	C(PCC)(SP)(S)	P(CC3)2(CSS)	S(CPS)	C(PCC)(SP)(S)	P(CC3)2(CSS)	S(CPS)	129.3970	0.230	3	129.3970	0.053	3	129.3970	0.053	3	129.3970	0.053	3	129.3970	0.053	3	129.3970	0.053	3
930	945	983	0:SP2_SP1_SP3	C	P	C	3:3:2:	3:3:3:	2:3:	C-3:P-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-2:C-3:	C(CC[6]Zr)(PC[6a]2)(CC)	P(C[6a]C[6a]2)2(CCC)	C(CC[6a])(CCP)	C(CC[6]Zr)(PC[6a]2)(CC)	P(C[6a]C[6a]2)2(CCC)	C(CC[6a])(CCP)	118.0055	2.108	2	118.0055	4.443	2	118.0055	4.443	2	118.0055	4.443	2	122.5665	7.266	15	122.5665	7.266	15
930	945	983	0:SP2_SP1_SP3	C	P	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:P-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(CC)	P(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2)(CC)	P(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]P)2	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	122.5665	7.266	15	122.5665	7.266	15
930	945	983	0:SP2_SP1_SP3	C	P	C	4:3:2:	3:3:3:	3:1:	P-4:P-3:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(PC[6a]3)(PCC)(CN)	P(CCP)3	C(CPP)(N)	C(PC[6a]3)(PCC)(CN)	P(CCP)3	C(CPP)(N)	122.2308	0.765	4	122.2308	0.586	4	122.2308	0.586	4	122.8766	2.289	8	122.5665	7.266	15	122.5665	7.266	15
930	945	983	0:SP2_SP1_SP3	C	P	C	4:3:2:	3:3:3:	3:1:	P-4:P-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(PC[6a]3)(PC[6a]C)(CN)	P(C[6a]C[6a]2)(CCP)2	C(CPP)(N)	C(PC[6a]3)(PC[6a]C)(CN)	P(C[6a]C[6a]2)(CCP)2	C(CPP)(N)	123.5225	1.908	4	123.5225	3.642	4	123.5225	3.642	4	122.8766	2.289	8	122.5665	7.266	15	122.5665	7.266	15
930	945	983	0:SP2_SP1_SP3	C	P	C	4:3:2:	4:3:3:	3:1:	P-4:P-3:C-2:	C-4:C-3:C-3:	C-3:N-1:	C(PC[6a]3)(PCC)(CN)	P(CC3)(CCP)2	C(CPP)(N)	C(PC[6a]3)(PCC)(CN)	P(CC3)(CCP)2	C(CPP)(N)	125.8350	0.339	2	125.8350	0.115	2	125.8350	0.115	2	125.8350	0.115	2	122.5665	7.266	15	122.5665	7.266	15
930	945	983	0:SP2_SP1_SP3	C	P	C	4:3:2:	4:4:3:	3:1:	P-4:P-3:C-2:	C-4:C-4:C-3:	C-3:N-1:	C(PC[6a]3)(PCC)(CN)	P(CC3)2(CCP)	C(CPP)(N)	C(PC[6a]3)(PCC)(CN)	P(CC3)2(CCP)	C(CPP)(N)	124.3040	0.007	2	124.3040	0.000	2	124.3040	0.000	2	124.3040	0.000	2	122.5665	7.266	15	122.5665	7.266	15
930	945	992	0:SP2_SP3_SP3	C	P	P	3:4:3:	4:4:3:	3:3:3:3:	C[6a]-3:P-4:P-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	P(C[6]C[6]2H)2(CC[6a]P)	P(C[6a]C[6a]2)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	P(C[6]C[6]2H)2(CC[6a]P)	P(C[6a]C[6a]2)3(CC[6a]P)	113.7287	1.293	3	113.7287	1.671	3	113.7287	1.671	3	113.7287	1.671	3	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	3:4:3:	4:4:3:	4:4:4:3:	C[6a]-3:P-4:P-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(PC[6]3)(PC[6]2)	P(C[6]C[6]2H)2(CC[6a]P)	P(C[6]C[6]2H)3(CC[6a]P)	C(C[6a]C[6a]2)(PC[6]3)(PC[6]2)	P(C[6]C[6]2H)2(CC[6a]P)	P(C[6]C[6]2H)3(CC[6a]P)	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	3:4:4:	3:3:1:	3:3:3:3:	P-3:P-4:P-4:	C[6a]-3:C-3:Cl-1:	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)(CPP)(Cl)	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]Cl)(PC[6a]3)2	P(C[6a]C[6a]2)(CPP)(Cl)	P(C[6a]C[6a]2)3(CPP)	118.0410	9.933	2	118.0410	98.673	2	118.0410	98.673	2	118.0410	98.673	2	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	4:3:2:	3:3:3:	3:3:3:3:	P-4:P-3:C-2:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PCC)(CN)	P(CCP)3	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PCC)(CN)	P(CCP)3	P(C[6a]C[6a]2)3(CCP)	120.9025	1.060	4	120.9025	1.124	4	120.9025	1.124	4	119.2308	6.083	8	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	4:3:2:	3:3:3:	3:3:3:3:	P-4:P-3:C-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PC[6a]C)(CN)	P(C[6a]C[6a]2)(CCP)2	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PC[6a]C)(CN)	P(C[6a]C[6a]2)(CCP)2	P(C[6a]C[6a]2)3(CCP)	117.5590	2.370	4	117.5590	5.617	4	117.5590	5.617	4	119.2308	6.083	8	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	4:3:2:	4:3:3:	3:3:3:3:	P-4:P-3:C-2:	C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PCC)(CN)	P(CC3)(CCP)2	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PCC)(CN)	P(CC3)(CCP)2	P(C[6a]C[6a]2)3(CCP)	116.8090	3.866	2	116.8090	14.950	2	116.8090	14.950	2	116.8090	14.950	2	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	4:3:2:	4:4:3:	3:3:3:3:	P-4:P-3:C-2:	C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(PCC)(CN)	P(CC3)2(CCP)	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)(PCC)(CN)	P(CC3)2(CCP)	P(C[6a]C[6a]2)3(CCP)	119.6990	0.083	2	119.6990	0.007	2	119.6990	0.007	2	119.6990	0.007	2	117.7394	28.467	22	117.7394	28.467	22
930	945	992	0:SP2_SP3_SP3	C	P	P	4:4:3:	3:1:1:	3:3:3:3:	P-4:P-4:P-3:	C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(PCl2)	P(CPP)(Cl)2	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]3)2(PCl2)	P(CPP)(Cl)2	P(C[6a]C[6a]2)3(CPP)	118.1112	10.734	4	118.1112	115.224	4	118.1112	115.224	4	118.1112	115.224	4	117.7394	28.467	22	117.7394	28.467	22
930	950	992	0:SP2_SP3_SPD5	C	P	P	5:4:4:	3:3:3:1:1:	3:3:3:3:	P-5:P-4:P-4:	C[6a]-3:C[6a]-3:C-3:F-1:F-1:	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)2(CPP)(F)2	P(C[6a]C[6a]2)3(CPP)	C(PC[6a]2FF)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(F)2	P(C[6a]C[6a]2)3(CPP)	117.9890	0.362	2	117.9890	0.131	2	117.9890	0.131	2	117.9890	0.131	2	117.9890	0.131	2	117.9890	0.131	2
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	1:1:1:	3:	3:	Cl-1:H-1:H-1:	C-3:	C-3:	C(Cl)(H)2	H(CClH)	H(CClH)	C(Cl)(H)2	H(CClH)	H(CClH)	108.9925	4.858	59	108.9925	23.603	59	108.9925	23.603	59	109.2378	9.181	1472	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	1:1:1:	3:	3:	H-1:H-1:H-1:	C-3:	C-3:	C(H)3	H(CHH)	H(CHH)	C(H)3	H(CHH)	H(CHH)	109.3024	2.608	1404	109.3024	6.802	1404	109.3024	6.802	1404	109.2378	9.181	1472	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	1:1:1:	3:	3:	H-1:H-1:O-1:	C-3:	C-3:	C(H)2(O)	H(CHO)	H(CHO)	C(H)2(O)	H(CHO)	H(CHO)	100.7601	15.561	9	100.7601	242.158	9	100.7601	242.158	9	109.2378	9.181	1472	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CC)(H)2	H(CCH)	H(CCH)	C(CC)(H)2	H(CCH)	H(CCH)	120.2784	7.835	38	120.2784	61.395	38	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CC[3])(H)2	H(CCH)	H(CCH)	C(CC[3])(H)2	H(CCH)	H(CCH)	120.7310	0.000	1	120.7310	0.000	1	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CC[5])(H)2	H(CCH)	H(CCH)	C(CC[5])(H)2	H(CCH)	H(CCH)	123.2025	4.877	2	123.2025	23.784	2	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CC[6,6])(H)2	H(CCH)	H(CCH)	C(CC[6,6])(H)2	H(CCH)	H(CCH)	120.0470	0.000	1	120.0470	0.000	1	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CC[6])(H)2	H(CCH)	H(CCH)	C(CC[6])(H)2	H(CCH)	H(CCH)	122.0210	1.481	3	122.0210	2.192	3	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CH)(H)2	H(CCH)	H(CCH)	C(CH)(H)2	H(CCH)	H(CCH)	119.9640	0.000	1	119.9640	0.000	1	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CN)(H)2	H(CCH)	H(CCH)	C(CN)(H)2	H(CCH)	H(CCH)	113.0426	19.657	21	113.0426	386.416	21	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CO)(H)2	H(CCH)	H(CCH)	C(CO)(H)2	H(CCH)	H(CCH)	112.8340	0.000	1	112.8340	0.000	1	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CP)(H)2	H(CCH)	H(CCH)	C(CP)(H)2	H(CCH)	H(CCH)	114.3850	0.000	1	114.3850	0.000	1	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	C-2:H-1:H-1:	C-3:	C-3:	C(CRu)(H)2	H(CCH)	H(CCH)	C(CRu)(H)2	H(CCH)	H(CCH)	120.8960	0.000	1	120.8960	0.000	1	118.0829	158.076	70	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	Cl-2:H-1:H-1:	C-3:	C-3:	C(ClCl)(H)2	H(CClH)	H(CClH)	C(ClCl)(H)2	H(CClH)	H(CClH)	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	H-2:H-1:H-1:	C-3:	C-3:	C(HO)(H)2	H(CHH)	H(CHH)	C(HO)(H)2	H(CHH)	H(CHH)	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	C-3:	C-3:	C(NC)(H)2	H(CHN)	H(CHN)	C(NC)(H)2	H(CHN)	H(CHN)	110.7770	0.000	1	110.7770	0.000	1	116.9393	14.607	8	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	C-3:	C-3:	C(NC[6a])(H)2	H(CHN)	H(CHN)	C(NC[6a])(H)2	H(CHN)	H(CHN)	114.4680	0.000	1	114.4680	0.000	1	116.9393	14.607	8	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	C-3:	C-3:	C(NGe)(H)2	H(CHN)	H(CHN)	C(NGe)(H)2	H(CHN)	H(CHN)	113.1430	0.000	1	113.1430	0.000	1	116.9393	14.607	8	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	C-3:	C-3:	C(NN)(H)2	H(CHN)	H(CHN)	C(NN)(H)2	H(CHN)	H(CHN)	119.2763	2.034	4	119.2763	4.139	4	116.9393	14.607	8	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	N-2:H-1:H-1:	C-3:	C-3:	C(NN[5,5])(H)2	H(CHN)	H(CHN)	C(NN[5,5])(H)2	H(CHN)	H(CHN)	120.0210	0.000	1	120.0210	0.000	1	116.9393	14.607	8	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(OC)(H)2	H(CHO)	H(CHO)	C(OC)(H)2	H(CHO)	H(CHO)	108.7324	9.642	33	108.7324	92.972	33	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(OC[5,5])(H)2	H(CHO)	H(CHO)	C(OC[5,5])(H)2	H(CHO)	H(CHO)	75.0913	0.000	1	75.0913	0.000	1	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(OC[5,6])(H)2	H(CHO)	H(CHO)	C(OC[5,6])(H)2	H(CHO)	H(CHO)	104.3347	6.511	2	104.3347	42.398	2	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(OC[6a])(H)2	H(CHO)	H(CHO)	C(OC[6a])(H)2	H(CHO)	H(CHO)	107.1820	10.108	15	107.1820	102.174	15	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(OH)(H)2	H(CHO)	H(CHO)	C(OH)(H)2	H(CHO)	H(CHO)	105.4201	16.133	16	105.4201	260.265	16	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(ONi)(H)2	H(CHO)	H(CHO)	C(ONi)(H)2	H(CHO)	H(CHO)	88.0577	0.000	1	88.0577	0.000	1	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	O-2:H-1:H-1:	C-3:	C-3:	C(OP)(H)2	H(CHO)	H(CHO)	C(OP)(H)2	H(CHO)	H(CHO)	134.5600	0.000	1	134.5600	0.000	1	107.0869	156.494	69	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:	3:	Se-2:H-1:H-1:	C-3:	C-3:	C(SeSe)(H)2	H(CSeH)	H(CSeH)	C(SeSe)(H)2	H(CSeH)	H(CSeH)	114.9585	11.207	2	114.9585	125.595	2	114.9585	125.595	2	112.8760	174.275	151	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CAlC)(H)2	H(CCH)	H(CCH)	C(CAlC)(H)2	H(CCH)	H(CCH)	115.7040	0.000	1	115.7040	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CBH)(H)2	H(CCH)	H(CCH)	C(CBH)(H)2	H(CCH)	H(CCH)	119.9960	0.023	4	119.9960	0.001	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CB[5]C)(H)2	H(CCH)	H(CCH)	C(CB[5]C)(H)2	H(CCH)	H(CCH)	120.0440	0.000	1	120.0440	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CB[6]H)(H)2	H(CCH)	H(CCH)	C(CB[6]H)(H)2	H(CCH)	H(CCH)	119.9780	0.000	1	119.9780	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CBrC)(H)2	H(CCH)	H(CCH)	C(CBrC)(H)2	H(CCH)	H(CCH)	120.2364	0.411	7	120.2364	0.169	7	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCC)(H)2	H(CCH)	H(CCH)	C(CCC)(H)2	H(CCH)	H(CCH)	119.6415	1.812	462	119.6415	3.284	462	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCF)(H)2	H(CCH)	H(CCH)	C(CCF)(H)2	H(CCH)	H(CCH)	119.9677	0.065	4	119.9677	0.004	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCH)(H)2	H(CCH)	H(CCH)	C(CCH)(H)2	H(CCH)	H(CCH)	119.6207	2.238	1473	119.6207	5.009	1473	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCI)(H)2	H(CCH)	H(CCH)	C(CCI)(H)2	H(CCH)	H(CCH)	119.9937	0.079	10	119.9937	0.006	10	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCN)(H)2	H(CCH)	H(CCH)	C(CCN)(H)2	H(CCH)	H(CCH)	118.1254	6.892	19	118.1254	47.504	19	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCO)(H)2	H(CCH)	H(CCH)	C(CCO)(H)2	H(CCH)	H(CCH)	116.3426	8.406	40	116.3426	70.653	40	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCP)(H)2	H(CCH)	H(CCH)	C(CCP)(H)2	H(CCH)	H(CCH)	117.4186	4.366	15	117.4186	19.062	15	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCS)(H)2	H(CCH)	H(CCH)	C(CCS)(H)2	H(CCH)	H(CCH)	123.1426	6.585	10	123.1426	43.357	10	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[3,5]H)(H)2	H(CCH)	H(CCH)	C(CC[3,5]H)(H)2	H(CCH)	H(CCH)	118.8410	0.000	1	118.8410	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[3]H)(H)2	H(CCH)	H(CCH)	C(CC[3]H)(H)2	H(CCH)	H(CCH)	119.8288	2.304	12	119.8288	5.309	12	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[3]O)(H)2	H(CCH)	H(CCH)	C(CC[3]O)(H)2	H(CCH)	H(CCH)	120.0260	0.000	1	120.0260	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[3x6]C)(H)2	H(CCH)	H(CCH)	C(CC[3x6]C)(H)2	H(CCH)	H(CCH)	119.9705	0.011	2	119.9705	0.000	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[3x6]H)(H)2	H(CCH)	H(CCH)	C(CC[3x6]H)(H)2	H(CCH)	H(CCH)	120.0125	0.004	2	120.0125	0.000	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[4]C)(H)2	H(CCH)	H(CCH)	C(CC[4]C)(H)2	H(CCH)	H(CCH)	120.0220	0.582	25	120.0220	0.339	25	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[4]H)(H)2	H(CCH)	H(CCH)	C(CC[4]H)(H)2	H(CCH)	H(CCH)	115.4345	6.448	2	115.4345	41.578	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[4]O)(H)2	H(CCH)	H(CCH)	C(CC[4]O)(H)2	H(CCH)	H(CCH)	121.2410	0.000	1	121.2410	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5,6,6]H)(H)2	H(CCH)	H(CCH)	C(CC[5,5,6,6]H)(H)2	H(CCH)	H(CCH)	120.0300	0.000	1	120.0300	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5,6]C)(H)2	H(CCH)	H(CCH)	C(CC[5,5,6]C)(H)2	H(CCH)	H(CCH)	119.9560	0.000	1	119.9560	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5,6]H)(H)2	H(CCH)	H(CCH)	C(CC[5,5,6]H)(H)2	H(CCH)	H(CCH)	120.0100	0.000	1	120.0100	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5,6]O)(H)2	H(CCH)	H(CCH)	C(CC[5,5,6]O)(H)2	H(CCH)	H(CCH)	108.0190	0.000	1	108.0190	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5]C)(H)2	H(CCH)	H(CCH)	C(CC[5,5]C)(H)2	H(CCH)	H(CCH)	120.7180	0.000	1	120.7180	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5]C[6a])(H)2	H(CCH)	H(CCH)	C(CC[5,5]C[6a])(H)2	H(CCH)	H(CCH)	120.0070	0.000	1	120.0070	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,5]H)(H)2	H(CCH)	H(CCH)	C(CC[5,5]H)(H)2	H(CCH)	H(CCH)	119.9990	0.044	5	119.9990	0.002	5	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,6,6]H)(H)2	H(CCH)	H(CCH)	C(CC[5,6,6]H)(H)2	H(CCH)	H(CCH)	119.9720	0.000	1	119.9720	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,6]C)(H)2	H(CCH)	H(CCH)	C(CC[5,6]C)(H)2	H(CCH)	H(CCH)	119.7978	0.628	10	119.7978	0.394	10	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,6]H)(H)2	H(CCH)	H(CCH)	C(CC[5,6]H)(H)2	H(CCH)	H(CCH)	120.0131	0.030	14	120.0131	0.001	14	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5,6]O)(H)2	H(CCH)	H(CCH)	C(CC[5,6]O)(H)2	H(CCH)	H(CCH)	120.0270	0.000	1	120.0270	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]Br)(H)2	H(CCH)	H(CCH)	C(CC[5]Br)(H)2	H(CCH)	H(CCH)	118.0990	0.000	1	118.0990	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]C)(H)2	H(CCH)	H(CCH)	C(CC[5]C)(H)2	H(CCH)	H(CCH)	119.6148	1.784	144	119.6148	3.184	144	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]C[6])(H)2	H(CCH)	H(CCH)	C(CC[5]C[6])(H)2	H(CCH)	H(CCH)	119.4009	1.543	9	119.4009	2.380	9	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]Cl)(H)2	H(CCH)	H(CCH)	C(CC[5]Cl)(H)2	H(CCH)	H(CCH)	119.9460	0.061	4	119.9460	0.004	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]H)(H)2	H(CCH)	H(CCH)	C(CC[5]H)(H)2	H(CCH)	H(CCH)	119.8517	0.913	168	119.8517	0.834	168	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]N)(H)2	H(CCH)	H(CCH)	C(CC[5]N)(H)2	H(CCH)	H(CCH)	120.0080	0.043	5	120.0080	0.002	5	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]N[6])(H)2	H(CCH)	H(CCH)	C(CC[5]N[6])(H)2	H(CCH)	H(CCH)	120.0840	0.000	1	120.0840	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]O)(H)2	H(CCH)	H(CCH)	C(CC[5]O)(H)2	H(CCH)	H(CCH)	119.9620	0.000	1	119.9620	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]S)(H)2	H(CCH)	H(CCH)	C(CC[5]S)(H)2	H(CCH)	H(CCH)	121.7353	3.013	3	121.7353	9.081	3	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5]Sn)(H)2	H(CCH)	H(CCH)	C(CC[5]Sn)(H)2	H(CCH)	H(CCH)	121.8630	0.000	1	121.8630	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]2)(H)2	H(CCH)	H(CCH)	C(CC[5a]2)(H)2	H(CCH)	H(CCH)	118.8780	0.000	1	118.8780	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]C)(H)2	H(CCH)	H(CCH)	C(CC[5a]C)(H)2	H(CCH)	H(CCH)	119.7427	0.741	7	119.7427	0.549	7	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]C[5])(H)2	H(CCH)	H(CCH)	C(CC[5a]C[5])(H)2	H(CCH)	H(CCH)	120.0100	0.000	1	120.0100	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]C[6])(H)2	H(CCH)	H(CCH)	C(CC[5a]C[6])(H)2	H(CCH)	H(CCH)	120.0290	0.000	1	120.0290	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]C[6a])(H)2	H(CCH)	H(CCH)	C(CC[5a]C[6a])(H)2	H(CCH)	H(CCH)	119.4517	1.562	14	119.4517	2.439	14	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]H)(H)2	H(CCH)	H(CCH)	C(CC[5a]H)(H)2	H(CCH)	H(CCH)	120.0408	0.055	9	120.0408	0.003	9	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[5a]N)(H)2	H(CCH)	H(CCH)	C(CC[5a]N)(H)2	H(CCH)	H(CCH)	120.0410	0.000	1	120.0410	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6,6]C)(H)2	H(CCH)	H(CCH)	C(CC[6,6]C)(H)2	H(CCH)	H(CCH)	117.4535	1.278	2	117.4535	1.633	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6,6]C[5])(H)2	H(CCH)	H(CCH)	C(CC[6,6]C[5])(H)2	H(CCH)	H(CCH)	121.8370	0.000	1	121.8370	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6,6]H)(H)2	H(CCH)	H(CCH)	C(CC[6,6]H)(H)2	H(CCH)	H(CCH)	119.8390	2.090	78	119.8390	4.367	78	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6]C)(H)2	H(CCH)	H(CCH)	C(CC[6]C)(H)2	H(CCH)	H(CCH)	119.0553	3.761	209	119.0553	14.147	209	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6]H)(H)2	H(CCH)	H(CCH)	C(CC[6]H)(H)2	H(CCH)	H(CCH)	119.7348	2.232	216	119.7348	4.984	216	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6]N)(H)2	H(CCH)	H(CCH)	C(CC[6]N)(H)2	H(CCH)	H(CCH)	117.0245	6.451	11	117.0245	41.616	11	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6]O)(H)2	H(CCH)	H(CCH)	C(CC[6]O)(H)2	H(CCH)	H(CCH)	118.2503	3.050	3	118.2503	9.305	3	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6]Si)(H)2	H(CCH)	H(CCH)	C(CC[6]Si)(H)2	H(CCH)	H(CCH)	119.9820	0.000	1	119.9820	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]2)(H)2	H(CCH)	H(CCH)	C(CC[6a]2)(H)2	H(CCH)	H(CCH)	119.7685	0.556	16	119.7685	0.309	16	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]C)(H)2	H(CCH)	H(CCH)	C(CC[6a]C)(H)2	H(CCH)	H(CCH)	119.7074	1.158	55	119.7074	1.340	55	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]C[5])(H)2	H(CCH)	H(CCH)	C(CC[6a]C[5])(H)2	H(CCH)	H(CCH)	119.2050	2.688	21	119.2050	7.226	21	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]C[6])(H)2	H(CCH)	H(CCH)	C(CC[6a]C[6])(H)2	H(CCH)	H(CCH)	119.6499	1.865	12	119.6499	3.477	12	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Cl)(H)2	H(CCH)	H(CCH)	C(CC[6a]Cl)(H)2	H(CCH)	H(CCH)	119.9800	0.000	1	119.9800	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Co)(H)2	H(CCH)	H(CCH)	C(CC[6a]Co)(H)2	H(CCH)	H(CCH)	119.8660	0.000	1	119.8660	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]H)(H)2	H(CCH)	H(CCH)	C(CC[6a]H)(H)2	H(CCH)	H(CCH)	119.7353	2.172	65	119.7353	4.720	65	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Ir)(H)2	H(CCH)	H(CCH)	C(CC[6a]Ir)(H)2	H(CCH)	H(CCH)	117.0950	0.000	1	117.0950	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]N)(H)2	H(CCH)	H(CCH)	C(CC[6a]N)(H)2	H(CCH)	H(CCH)	118.5874	3.139	10	118.5874	9.854	10	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]N[5])(H)2	H(CCH)	H(CCH)	C(CC[6a]N[5])(H)2	H(CCH)	H(CCH)	119.7223	0.585	3	119.7223	0.342	3	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]N[5a])(H)2	H(CCH)	H(CCH)	C(CC[6a]N[5a])(H)2	H(CCH)	H(CCH)	119.9820	0.000	1	119.9820	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]N[6])(H)2	H(CCH)	H(CCH)	C(CC[6a]N[6])(H)2	H(CCH)	H(CCH)	119.9790	0.000	1	119.9790	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]O)(H)2	H(CCH)	H(CCH)	C(CC[6a]O)(H)2	H(CCH)	H(CCH)	120.0451	0.801	9	120.0451	0.642	9	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]P)(H)2	H(CCH)	H(CCH)	C(CC[6a]P)(H)2	H(CCH)	H(CCH)	120.1175	1.085	2	120.1175	1.178	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Pd)(H)2	H(CCH)	H(CCH)	C(CC[6a]Pd)(H)2	H(CCH)	H(CCH)	120.0025	0.047	4	120.0025	0.002	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Ru)(H)2	H(CCH)	H(CCH)	C(CC[6a]Ru)(H)2	H(CCH)	H(CCH)	119.9920	0.000	1	119.9920	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]S)(H)2	H(CCH)	H(CCH)	C(CC[6a]S)(H)2	H(CCH)	H(CCH)	119.6030	1.659	4	119.6030	2.754	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Si)(H)2	H(CCH)	H(CCH)	C(CC[6a]Si)(H)2	H(CCH)	H(CCH)	117.8007	2.288	3	117.8007	5.233	3	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CC[6a]Te)(H)2	H(CCH)	H(CCH)	C(CC[6a]Te)(H)2	H(CCH)	H(CCH)	119.9730	0.000	1	119.9730	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CClC)(H)2	H(CCH)	H(CCH)	C(CClC)(H)2	H(CCH)	H(CCH)	121.0795	1.365	4	121.0795	1.862	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CClN)(H)2	H(CCH)	H(CCH)	C(CClN)(H)2	H(CCH)	H(CCH)	122.4720	0.000	1	122.4720	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CCoC)(H)2	H(CCH)	H(CCH)	C(CCoC)(H)2	H(CCH)	H(CCH)	118.1930	0.000	1	118.1930	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CFeH)(H)2	H(CCH)	H(CCH)	C(CFeH)(H)2	H(CCH)	H(CCH)	114.7270	0.000	1	114.7270	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CGeH)(H)2	H(CCH)	H(CCH)	C(CGeH)(H)2	H(CCH)	H(CCH)	119.9590	0.000	1	119.9590	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CGe[3,4,4,5,5,4x6]H)(H)2	H(CCH)	H(CCH)	C(CGe[3,4,4,5,5,4x6]H)(H)2	H(CCH)	H(CCH)	119.9795	0.008	2	119.9795	0.000	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CGe[6]C)(H)2	H(CCH)	H(CCH)	C(CGe[6]C)(H)2	H(CCH)	H(CCH)	119.9180	0.000	1	119.9180	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CHH)(H)2	H(CCH)	H(CCH)	C(CHH)(H)2	H(CCH)	H(CCH)	109.1584	2.358	75	109.1584	5.562	75	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CHN)(H)2	H(CCH)	H(CCH)	C(CHN)(H)2	H(CCH)	H(CCH)	119.9802	0.042	4	119.9802	0.002	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CHO)(H)2	H(CCH)	H(CCH)	C(CHO)(H)2	H(CCH)	H(CCH)	119.9883	0.038	10	119.9883	0.001	10	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CHP)(H)2	H(CCH)	H(CCH)	C(CHP)(H)2	H(CCH)	H(CCH)	119.4563	2.236	28	119.4563	5.002	28	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CHS)(H)2	H(CCH)	H(CCH)	C(CHS)(H)2	H(CCH)	H(CCH)	119.7385	0.994	8	119.7385	0.989	8	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CHW)(H)2	H(CCH)	H(CCH)	C(CHW)(H)2	H(CCH)	H(CCH)	125.1460	0.000	1	125.1460	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CIrC)(H)2	H(CCH)	H(CCH)	C(CIrC)(H)2	H(CCH)	H(CCH)	120.1540	0.174	2	120.1540	0.030	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CIrH)(H)2	H(CCH)	H(CCH)	C(CIrH)(H)2	H(CCH)	H(CCH)	116.2460	6.479	3	116.2460	41.983	3	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CMnC)(H)2	H(CCH)	H(CCH)	C(CMnC)(H)2	H(CCH)	H(CCH)	112.5197	6.909	3	112.5197	47.740	3	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CMoC)(H)2	H(CCH)	H(CCH)	C(CMoC)(H)2	H(CCH)	H(CCH)	119.9900	0.081	2	119.9900	0.006	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CNN)(H)2	H(CCH)	H(CCH)	C(CNN)(H)2	H(CCH)	H(CCH)	114.1565	8.166	2	114.1565	66.690	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CNO)(H)2	H(CCH)	H(CCH)	C(CNO)(H)2	H(CCH)	H(CCH)	107.3805	9.692	9	107.3805	93.936	9	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CNP)(H)2	H(CCH)	H(CCH)	C(CNP)(H)2	H(CCH)	H(CCH)	120.0390	0.000	1	120.0390	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CN[5]C)(H)2	H(CCH)	H(CCH)	C(CN[5]C)(H)2	H(CCH)	H(CCH)	119.5763	0.789	4	119.5763	0.623	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CN[5]H)(H)2	H(CCH)	H(CCH)	C(CN[5]H)(H)2	H(CCH)	H(CCH)	119.9913	0.065	15	119.9913	0.004	15	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CN[5]O)(H)2	H(CCH)	H(CCH)	C(CN[5]O)(H)2	H(CCH)	H(CCH)	95.6881	0.000	1	95.6881	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CN[5a]C)(H)2	H(CCH)	H(CCH)	C(CN[5a]C)(H)2	H(CCH)	H(CCH)	119.4856	1.209	7	119.4856	1.461	7	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CN[5a]H)(H)2	H(CCH)	H(CCH)	C(CN[5a]H)(H)2	H(CCH)	H(CCH)	120.0251	0.023	7	120.0251	0.001	7	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CN[5a]O)(H)2	H(CCH)	H(CCH)	C(CN[5a]O)(H)2	H(CCH)	H(CCH)	122.9800	0.000	1	122.9800	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(COO)(H)2	H(CCH)	H(CCH)	C(COO)(H)2	H(CCH)	H(CCH)	104.4384	15.101	10	104.4384	228.037	10	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CPP)(H)2	H(CCH)	H(CCH)	C(CPP)(H)2	H(CCH)	H(CCH)	117.3520	4.888	8	117.3520	23.894	8	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CP[4]C)(H)2	H(CCH)	H(CCH)	C(CP[4]C)(H)2	H(CCH)	H(CCH)	119.9700	0.000	1	119.9700	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CP[5]C)(H)2	H(CCH)	H(CCH)	C(CP[5]C)(H)2	H(CCH)	H(CCH)	117.5290	0.000	1	117.5290	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CP[5]Os)(H)2	H(CCH)	H(CCH)	C(CP[5]Os)(H)2	H(CCH)	H(CCH)	120.0030	0.000	1	120.0030	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CP[5]Ru)(H)2	H(CCH)	H(CCH)	C(CP[5]Ru)(H)2	H(CCH)	H(CCH)	113.8220	0.000	1	113.8220	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CRhC)(H)2	H(CCH)	H(CCH)	C(CRhC)(H)2	H(CCH)	H(CCH)	120.0385	0.013	2	120.0385	0.000	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CRu2)(H)2	H(CCH)	H(CCH)	C(CRu2)(H)2	H(CCH)	H(CCH)	119.2090	0.000	1	119.2090	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CRuH)(H)2	H(CCH)	H(CCH)	C(CRuH)(H)2	H(CCH)	H(CCH)	119.9560	0.000	1	119.9560	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CSW)(H)2	H(CCH)	H(CCH)	C(CSW)(H)2	H(CCH)	H(CCH)	120.2470	0.000	1	120.2470	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CSiC)(H)2	H(CCH)	H(CCH)	C(CSiC)(H)2	H(CCH)	H(CCH)	119.6301	0.845	9	119.6301	0.714	9	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CSiH)(H)2	H(CCH)	H(CCH)	C(CSiH)(H)2	H(CCH)	H(CCH)	119.4917	1.511	43	119.4917	2.284	43	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CSnC)(H)2	H(CCH)	H(CCH)	C(CSnC)(H)2	H(CCH)	H(CCH)	120.0760	0.110	4	120.0760	0.012	4	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CSnH)(H)2	H(CCH)	H(CCH)	C(CSnH)(H)2	H(CCH)	H(CCH)	119.2170	1.806	5	119.2170	3.262	5	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CZnC)(H)2	H(CCH)	H(CCH)	C(CZnC)(H)2	H(CCH)	H(CCH)	114.2830	3.718	2	114.2830	13.823	2	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C-3:H-1:H-1:	C-3:	C-3:	C(CZnH)(H)2	H(CCH)	H(CCH)	C(CZnH)(H)2	H(CCH)	H(CCH)	119.9330	0.000	1	119.9330	0.000	1	119.2437	10.474	3518	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[3]-3:H-1:H-1:	C-3:	C-3:	C(C[3]C[3,5]N[3,5])(H)2	H(CC[3]H)	H(CC[3]H)	C(C[3]C[3,5]N[3,5])(H)2	H(CC[3]H)	H(CC[3]H)	121.4750	0.000	1	121.4750	0.000	1	120.0979	1.393	13	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[3]-3:H-1:H-1:	C-3:	C-3:	C(C[3]C[3]2)(H)2	H(CC[3]H)	H(CC[3]H)	C(C[3]C[3]2)(H)2	H(CC[3]H)	H(CC[3]H)	119.9835	1.211	11	119.9835	1.467	11	120.0979	1.393	13	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[3]-3:H-1:H-1:	C-3:	C-3:	C(C[3]C[3]N[3])(H)2	H(CC[3]H)	H(CC[3]H)	C(C[3]C[3]N[3])(H)2	H(CC[3]H)	H(CC[3]H)	119.9790	0.000	1	119.9790	0.000	1	120.0979	1.393	13	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[4,5]-3:H-1:H-1:	C-3:	C-3:	C(C[4,5]C[4,3x5,6]C[4,5,5,6])(H)2	H(CC[4,5]H)	H(CC[4,5]H)	C(C[4,5]C[4,3x5,6]C[4,5,5,6])(H)2	H(CC[4,5]H)	H(CC[4,5]H)	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[4]-3:H-1:H-1:	C-3:	C-3:	C(C[4]C[3,4]C[4,6])(H)2	H(CC[4]H)	H(CC[4]H)	C(C[4]C[3,4]C[4,6])(H)2	H(CC[4]H)	H(CC[4]H)	119.9050	0.000	1	119.9050	0.000	1	119.2157	12.009	9	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[4]-3:H-1:H-1:	C-3:	C-3:	C(C[4]C[4,5]C[4])(H)2	H(CC[4]H)	H(CC[4]H)	C(C[4]C[4,5]C[4])(H)2	H(CC[4]H)	H(CC[4]H)	120.8867	1.654	3	120.8867	2.734	3	119.2157	12.009	9	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[4]-3:H-1:H-1:	C-3:	C-3:	C(C[4]C[4]2)(H)2	H(CC[4]H)	H(CC[4]H)	C(C[4]C[4]2)(H)2	H(CC[4]H)	H(CC[4]H)	118.0752	4.337	5	118.0752	18.813	5	119.2157	12.009	9	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,5]-3:H-1:H-1:	C-3:	C-3:	C(C[5,5]C[3x5,6]2)(H)2	H(CC[5,5]H)	H(CC[5,5]H)	C(C[5,5]C[3x5,6]2)(H)2	H(CC[5,5]H)	H(CC[5,5]H)	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[3x5,6]C[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[3x5,6]C[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	124.2770	0.000	1	124.2770	0.000	1	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,5,6,6]C[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	120.0330	0.000	1	120.0330	0.000	1	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]2)(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]2)(H)2	H(CC[5,6]H)	H(CC[5,6]H)	120.0097	0.005	3	120.0097	0.000	3	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	120.0010	0.000	1	120.0010	0.000	1	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	119.7423	1.151	21	119.7423	1.326	21	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]O[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]O[5,6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	120.0503	0.148	4	120.0503	0.022	4	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,6]2)(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,6]2)(H)2	H(CC[5,6]H)	H(CC[5,6]H)	119.9910	0.054	3	119.9910	0.003	3	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5,6]-3:H-1:H-1:	C-3:	C-3:	C(C[5,6]P[5,6]2)(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]P[5,6]2)(H)2	H(CC[5,6]H)	H(CC[5,6]H)	120.0480	0.000	1	120.0480	0.000	1	119.9757	1.361	35	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3,5,5]C[5,5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3,5,5]C[5,5])(H)2	H(CC[5]H)	H(CC[5]H)	119.9850	0.000	1	119.9850	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3,5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3,5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0100	0.000	1	120.0100	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3,5]C[5,6])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3,5]C[5,6])(H)2	H(CC[5]H)	H(CC[5]H)	119.6901	0.711	9	119.6901	0.505	9	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0190	0.000	1	120.0190	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3,5]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3,5]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0250	0.000	1	120.0250	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3x5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3x5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.0270	0.000	1	119.0270	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[3x5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[3x5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	117.1190	4.146	2	117.1190	17.193	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[4,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[4,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	118.8135	1.696	2	118.8135	2.878	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	118.0540	2.762	2	118.0540	7.628	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,5]C[5,6])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,5]C[5,6])(H)2	H(CC[5]H)	H(CC[5]H)	119.2157	1.694	4	119.2157	2.871	4	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	118.6723	3.132	16	118.6723	9.811	16	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,5]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,5]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.9620	0.085	3	119.9620	0.007	3	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,5a]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,5a]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	121.7360	0.000	1	121.7360	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	122.2460	0.000	1	122.2460	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6]B[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6]B[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.9260	0.000	1	119.9260	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0191	0.952	103	120.0191	0.906	103	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.1977	0.411	4	120.1977	0.169	4	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6]O[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6]O[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0590	0.000	1	120.0590	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6a]2)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6a]2)(H)2	H(CC[5]H)	H(CC[5]H)	120.0135	0.028	2	120.0135	0.001	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6a]C[5,5])(H)2	H(CC[5]H)	H(CC[5]H)	118.8834	2.407	8	118.8834	5.792	8	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6a]C[5,6])(H)2	H(CC[5]H)	H(CC[5]H)	121.3185	1.916	2	121.3185	3.669	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.5965	1.081	8	119.5965	1.169	8	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,6a]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,6a]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.9865	0.004	2	119.9865	0.000	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2)(H)2	H(CC[5]H)	H(CC[5]H)	119.7197	1.719	133	119.7197	2.955	133	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	H(CC[5]H)	H(CC[5]H)	118.4264	9.435	18	118.4264	89.023	18	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]O[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]O[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0175	0.050	6	120.0175	0.003	6	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]S[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]S[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.9992	0.028	5	119.9992	0.001	5	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]N[3,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]N[3,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0285	0.073	2	120.0285	0.005	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]N[5,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]N[5,5]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	119.9350	0.000	1	119.9350	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]N[5,6a]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]N[5,6a]C[5])(H)2	H(CC[5]H)	H(CC[5]H)	120.0030	0.000	1	120.0030	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]N[5]2)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]N[5]2)(H)2	H(CC[5]H)	H(CC[5]H)	84.1571	0.000	1	84.1571	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]N[5]O[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]N[5]O[5])(H)2	H(CC[5]H)	H(CC[5]H)	106.8817	15.809	2	106.8817	249.909	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]N[5]S[5])(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]N[5]S[5])(H)2	H(CC[5]H)	H(CC[5]H)	128.9850	0.000	1	128.9850	0.000	1	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	C-3:	C-3:	C(C[5]Si[5]2)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]Si[5]2)(H)2	H(CC[5]H)	H(CC[5]H)	119.9920	0.024	2	119.9920	0.001	2	119.5355	12.272	348	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	C-3:	C-3:	C(C[5a]C[5a]N[5a])(H)2	H(CC[5a]H)	H(CC[5a]H)	C(C[5a]C[5a]N[5a])(H)2	H(CC[5a]H)	H(CC[5a]H)	115.2900	8.264	5	115.2900	68.286	5	112.9033	141.875	15	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	C-3:	C-3:	C(C[5a]C[5a]S[5a])(H)2	H(CC[5a]H)	H(CC[5a]H)	C(C[5a]C[5a]S[5a])(H)2	H(CC[5a]H)	H(CC[5a]H)	90.2077	6.807	2	90.2077	46.341	2	112.9033	141.875	15	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[5a]-3:H-1:H-1:	C-3:	C-3:	C(C[5a]N[5a]2)(H)2	H(CC[5a]H)	H(CC[5a]H)	C(C[5a]N[5a]2)(H)2	H(CC[5a]H)	H(CC[5a]H)	117.0855	8.178	8	117.0855	66.882	8	112.9033	141.875	15	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]B[6,6,6a]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]B[6,6,6a]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	120.0130	0.000	1	120.0130	0.000	1	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[3x6]2)(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[3x6]2)(H)2	H(CC[6,6]H)	H(CC[6,6]H)	119.9640	0.000	1	119.9640	0.000	1	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	120.1594	1.237	29	120.1594	1.531	29	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[3x6]N[3x6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[3x6]N[3x6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	119.9960	0.000	1	119.9960	0.000	1	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[3x6]N[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[3x6]N[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	119.9785	0.043	2	119.9785	0.002	2	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[4,6,6]2)(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[4,6,6]2)(H)2	H(CC[6,6]H)	H(CC[6,6]H)	120.0560	0.000	1	120.0560	0.000	1	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	119.6930	0.856	8	119.6930	0.733	8	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[5,3x6]C[6,6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	119.9540	0.001	2	119.9540	0.000	2	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[5,6,6]C[3x6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[5,6,6]C[3x6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	120.0610	0.000	1	120.0610	0.000	1	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6,6]-3:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[6,6]2)(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[6,6]2)(H)2	H(CC[6,6]H)	H(CC[6,6]H)	120.9103	2.248	9	120.9103	5.053	9	120.1875	1.767	55	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[3,6,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[3,6,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0400	0.000	1	120.0400	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[3,6]C[6,6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[3,6]C[6,6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0425	0.036	4	120.0425	0.001	4	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[3,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[3,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	109.8210	0.000	1	109.8210	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[3,6]O[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[3,6]O[6])(H)2	H(CC[6]H)	H(CC[6]H)	119.9890	0.000	1	119.9890	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[4,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[4,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	119.9990	0.000	1	119.9990	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5,5,6,6]C[5a,6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5,5,6,6]C[5a,6])(H)2	H(CC[6]H)	H(CC[6]H)	119.9780	0.000	1	119.9780	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5,6,6]C[6,6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5,6,6]C[6,6])(H)2	H(CC[6]H)	H(CC[6]H)	119.9700	0.000	1	119.9700	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5,6,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5,6,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0020	0.000	1	120.0020	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	118.8481	3.804	32	118.8481	14.474	32	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5,6]N[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5,6]N[6])(H)2	H(CC[6]H)	H(CC[6]H)	119.3980	0.000	1	119.3980	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5a,6]2)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5a,6]2)(H)2	H(CC[6]H)	H(CC[6]H)	120.0067	0.029	7	120.0067	0.001	7	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[5a,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5a,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0190	0.000	1	120.0190	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6]2)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6]2)(H)2	H(CC[6]H)	H(CC[6]H)	120.0660	0.000	1	120.0660	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	119.6250	3.484	104	119.6250	12.136	104	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6a]C[5,6])(H)2	H(CC[6]H)	H(CC[6]H)	117.2584	2.788	14	117.2584	7.770	14	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6a]C[6,6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6a]C[6,6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0270	0.000	1	120.0270	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	119.5018	7.744	8	119.5018	59.972	8	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6a]N[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6a]N[6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0150	0.000	1	120.0150	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	116.0134	8.813	187	116.0134	77.677	187	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]N[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	H(CC[6]H)	H(CC[6]H)	116.6637	6.762	62	116.6637	45.721	62	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]O[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	H(CC[6]H)	H(CC[6]H)	120.3296	1.505	11	120.3296	2.266	11	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]S[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]S[6])(H)2	H(CC[6]H)	H(CC[6]H)	119.9180	0.004	2	119.9180	0.000	2	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]N[5a,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]N[5a,6]C[6])(H)2	H(CC[6]H)	H(CC[6]H)	120.0330	0.000	1	120.0330	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]N[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]N[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	114.0240	8.447	2	114.0240	71.353	2	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]P[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]P[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	120.0080	0.000	1	120.0080	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6]-3:H-1:H-1:	C-3:	C-3:	C(C[6]S[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]S[6]2)(H)2	H(CC[6]H)	H(CC[6]H)	119.9530	0.000	1	119.9530	0.000	1	117.5680	46.765	448	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	C-3:	C-3:	C(C[6a]C[6a]2)(H)2	H(CC[6a]H)	H(CC[6a]H)	C(C[6a]C[6a]2)(H)2	H(CC[6a]H)	H(CC[6a]H)	104.6829	11.305	5	104.6829	127.800	5	109.8720	104.026	17	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	C[6a]-3:H-1:H-1:	C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	H(CC[6a]H)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	H(CC[6a]H)	H(CC[6a]H)	112.0341	9.354	12	112.0341	87.498	12	109.8720	104.026	17	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NAlN)(H)2	H(CHN)	H(CHN)	C(NAlN)(H)2	H(CHN)	H(CHN)	127.6220	0.000	1	127.6220	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NCC)(H)2	H(CHN)	H(CHN)	C(NCC)(H)2	H(CHN)	H(CHN)	107.8658	12.688	15	107.8658	160.974	15	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NCN)(H)2	H(CHN)	H(CHN)	C(NCN)(H)2	H(CHN)	H(CHN)	120.0040	0.000	1	120.0040	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NC[5a]C)(H)2	H(CHN)	H(CHN)	C(NC[5a]C)(H)2	H(CHN)	H(CHN)	105.6340	0.000	1	105.6340	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NC[6a]C)(H)2	H(CHN)	H(CHN)	C(NC[6a]C)(H)2	H(CHN)	H(CHN)	108.1480	3.958	5	108.1480	15.665	5	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NC[6a]Rh)(H)2	H(CHN)	H(CHN)	C(NC[6a]Rh)(H)2	H(CHN)	H(CHN)	120.0250	0.000	1	120.0250	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NCoC)(H)2	H(CHN)	H(CHN)	C(NCoC)(H)2	H(CHN)	H(CHN)	115.1550	0.000	1	115.1550	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NOO)(H)2	H(CHN)	H(CHN)	C(NOO)(H)2	H(CHN)	H(CHN)	101.2280	0.000	1	101.2280	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NP[5]C)(H)2	H(CHN)	H(CHN)	C(NP[5]C)(H)2	H(CHN)	H(CHN)	98.6475	0.000	1	98.6475	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NP[6]C)(H)2	H(CHN)	H(CHN)	C(NP[6]C)(H)2	H(CHN)	H(CHN)	134.3615	26.875	2	134.3615	722.266	2	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NPtH)(H)2	H(CHN)	H(CHN)	C(NPtH)(H)2	H(CHN)	H(CHN)	119.3330	0.000	1	119.3330	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N-3:H-1:H-1:	C-3:	C-3:	C(NRuH)(H)2	H(CHN)	H(CHN)	C(NRuH)(H)2	H(CHN)	H(CHN)	119.9270	0.000	1	119.9270	0.000	1	111.4524	173.128	31	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	C-3:	C-3:	C(N[5]C[5,6a]C[5])(H)2	H(CN[5]H)	H(CN[5]H)	C(N[5]C[5,6a]C[5])(H)2	H(CN[5]H)	H(CN[5]H)	106.0040	0.000	1	106.0040	0.000	1	100.5328	286.611	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	C-3:	C-3:	C(N[5]C[5]2)(H)2	H(CN[5]H)	H(CN[5]H)	C(N[5]C[5]2)(H)2	H(CN[5]H)	H(CN[5]H)	95.8011	22.417	4	95.8011	502.510	4	100.5328	286.611	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	C-3:	C-3:	C(N[5]C[5]N[5])(H)2	H(CN[5]H)	H(CN[5]H)	C(N[5]C[5]N[5])(H)2	H(CN[5]H)	H(CN[5]H)	108.2900	0.000	1	108.2900	0.000	1	100.5328	286.611	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5]-3:H-1:H-1:	C-3:	C-3:	C(N[5]C[5]O[5])(H)2	H(CN[5]H)	H(CN[5]H)	C(N[5]C[5]O[5])(H)2	H(CN[5]H)	H(CN[5]H)	106.2310	0.000	1	106.2310	0.000	1	100.5328	286.611	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	C-3:	C-3:	C(N[5a]C[5a,6a]C[5,5a])(H)2	H(CN[5a]H)	H(CN[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(H)2	H(CN[5a]H)	H(CN[5a]H)	117.5660	0.000	1	117.5660	0.000	1	108.9657	95.222	6	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	C-3:	C-3:	C(N[5a]C[5a]2)(H)2	H(CN[5a]H)	H(CN[5a]H)	C(N[5a]C[5a]2)(H)2	H(CN[5a]H)	H(CN[5a]H)	106.8365	11.314	4	106.8365	128.002	4	108.9657	95.222	6	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[5a]-3:H-1:H-1:	C-3:	C-3:	C(N[5a]C[5a]N[5a])(H)2	H(CN[5a]H)	H(CN[5a]H)	C(N[5a]C[5a]N[5a])(H)2	H(CN[5a]H)	H(CN[5a]H)	108.8820	0.000	1	108.8820	0.000	1	108.9657	95.222	6	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[6]-3:H-1:H-1:	C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)2	H(CN[6]H)	H(CN[6]H)	C(N[6]C[6,6a]C[6])(H)2	H(CN[6]H)	H(CN[6]H)	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[6a]-3:H-1:H-1:	C-3:	C-3:	C(N[6a]C[5a,6a]C[6a])(H)2	H(CN[6a]H)	H(CN[6a]H)	C(N[6a]C[5a,6a]C[6a])(H)2	H(CN[6a]H)	H(CN[6a]H)	116.8200	0.000	1	116.8200	0.000	1	110.5975	77.439	2	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	N[6a]-3:H-1:H-1:	C-3:	C-3:	C(N[6a]C[6a]2)(H)2	H(CN[6a]H)	H(CN[6a]H)	C(N[6a]C[6a]2)(H)2	H(CN[6a]H)	H(CN[6a]H)	104.3750	0.000	1	104.3750	0.000	1	110.5975	77.439	2	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	O-3:H-1:H-1:	C-3:	C-3:	C(OCuC)(H)2	H(CHO)	H(CHO)	C(OCuC)(H)2	H(CHO)	H(CHO)	113.3000	0.000	1	113.3000	0.000	1	110.9461	34.458	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	O-3:H-1:H-1:	C-3:	C-3:	C(OLiC)(H)2	H(CHO)	H(CHO)	C(OLiC)(H)2	H(CHO)	H(CHO)	111.3725	5.776	4	111.3725	33.368	4	110.9461	34.458	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	O-3:H-1:H-1:	C-3:	C-3:	C(ONiH)(H)2	H(CHO)	H(CHO)	C(ONiH)(H)2	H(CHO)	H(CHO)	108.9165	9.599	2	108.9165	92.140	2	110.9461	34.458	7	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	C-3:	C-3:	C(SCO)(H)2	H(CHS)	H(CHS)	C(SCO)(H)2	H(CHS)	H(CHS)	105.6850	0.000	1	105.6850	0.000	1	101.4279	49.461	4	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	C-3:	C-3:	C(SRh2)(H)2	H(CHS)	H(CHS)	C(SRh2)(H)2	H(CHS)	H(CHS)	95.4588	0.000	2	95.4588	0.000	2	101.4279	49.461	4	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	S-3:H-1:H-1:	C-3:	C-3:	C(SRuC)(H)2	H(CHS)	H(CHS)	C(SRuC)(H)2	H(CHS)	H(CHS)	109.1090	0.000	1	109.1090	0.000	1	101.4279	49.461	4	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	3:1:1:	3:	3:	Se-3:H-1:H-1:	C-3:	C-3:	C(SeBiC)(H)2	H(CSeH)	H(CSeH)	C(SeBiC)(H)2	H(CSeH)	H(CSeH)	101.4500	0.000	1	101.4500	0.000	1	101.4500	0.000	1	118.9293	18.592	4519	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC3)(H)2	H(CCH)	H(CCH)	C(CC3)(H)2	H(CCH)	H(CCH)	106.8356	5.226	9	106.8356	27.310	9	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCCH)(H)2	H(CCH)	H(CCH)	C(CCCH)(H)2	H(CCH)	H(CCH)	114.1550	5.901	3	114.1550	34.817	3	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCCN)(H)2	H(CCH)	H(CCH)	C(CCCN)(H)2	H(CCH)	H(CCH)	107.9462	3.514	5	107.9462	12.349	5	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCCO)(H)2	H(CCH)	H(CCH)	C(CCCO)(H)2	H(CCH)	H(CCH)	114.7758	3.607	4	114.7758	13.013	4	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCCP)(H)2	H(CCH)	H(CCH)	C(CCCP)(H)2	H(CCH)	H(CCH)	111.4610	3.222	5	111.4610	10.383	5	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCCS)(H)2	H(CCH)	H(CCH)	C(CCCS)(H)2	H(CCH)	H(CCH)	105.4815	5.984	2	105.4815	35.811	2	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCHH)(H)2	H(CCH)	H(CCH)	C(CCHH)(H)2	H(CCH)	H(CCH)	107.9463	3.795	154	107.9463	14.401	154	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCHN)(H)2	H(CCH)	H(CCH)	C(CCHN)(H)2	H(CCH)	H(CCH)	105.0375	4.742	13	105.0375	22.488	13	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCHO)(H)2	H(CCH)	H(CCH)	C(CCHO)(H)2	H(CCH)	H(CCH)	111.1005	6.053	4	111.1005	36.637	4	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCHP)(H)2	H(CCH)	H(CCH)	C(CCHP)(H)2	H(CCH)	H(CCH)	107.8972	10.613	10	107.8972	112.637	10	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CCNV)(H)2	H(CCH)	H(CCH)	C(CCNV)(H)2	H(CCH)	H(CCH)	120.0200	0.000	1	120.0200	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[4]CC)(H)2	H(CCH)	H(CCH)	C(CC[4]CC)(H)2	H(CCH)	H(CCH)	116.4622	4.180	4	116.4622	17.475	4	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[5,6]CH)(H)2	H(CCH)	H(CCH)	C(CC[5,6]CH)(H)2	H(CCH)	H(CCH)	100.2090	0.000	1	100.2090	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[5]CS)(H)2	H(CCH)	H(CCH)	C(CC[5]CS)(H)2	H(CCH)	H(CCH)	113.2720	0.000	1	113.2720	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[5a]HH)(H)2	H(CCH)	H(CCH)	C(CC[5a]HH)(H)2	H(CCH)	H(CCH)	108.3380	0.000	1	108.3380	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6]2H)(H)2	H(CCH)	H(CCH)	C(CC[6]2H)(H)2	H(CCH)	H(CCH)	113.5300	0.000	1	113.5300	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6]CC)(H)2	H(CCH)	H(CCH)	C(CC[6]CC)(H)2	H(CCH)	H(CCH)	106.7350	0.000	1	106.7350	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6]CH)(H)2	H(CCH)	H(CCH)	C(CC[6]CH)(H)2	H(CCH)	H(CCH)	106.0798	5.573	3	106.0798	31.062	3	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6]HH)(H)2	H(CCH)	H(CCH)	C(CC[6]HH)(H)2	H(CCH)	H(CCH)	109.6633	1.810	3	109.6633	3.276	3	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6]HN)(H)2	H(CCH)	H(CCH)	C(CC[6]HN)(H)2	H(CCH)	H(CCH)	106.7670	0.000	1	106.7670	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6a]2C)(H)2	H(CCH)	H(CCH)	C(CC[6a]2C)(H)2	H(CCH)	H(CCH)	124.1940	0.000	1	124.1940	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6a]CC)(H)2	H(CCH)	H(CCH)	C(CC[6a]CC)(H)2	H(CCH)	H(CCH)	107.7853	12.319	11	107.7853	151.769	11	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6a]CH)(H)2	H(CCH)	H(CCH)	C(CC[6a]CH)(H)2	H(CCH)	H(CCH)	112.8926	6.870	18	112.8926	47.203	18	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CC[6a]HH)(H)2	H(CCH)	H(CCH)	C(CC[6a]HH)(H)2	H(CCH)	H(CCH)	109.4220	0.081	3	109.4220	0.007	3	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CClHH)(H)2	H(CCH)	H(CCH)	C(CClHH)(H)2	H(CCH)	H(CCH)	109.8650	0.148	2	109.8650	0.022	2	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CFHH)(H)2	H(CCH)	H(CCH)	C(CFHH)(H)2	H(CCH)	H(CCH)	110.1430	0.000	1	110.1430	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CH3)(H)2	H(CCH)	H(CCH)	C(CH3)(H)2	H(CCH)	H(CCH)	109.4143	2.132	166	109.4143	4.545	166	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CHHN)(H)2	H(CCH)	H(CCH)	C(CHHN)(H)2	H(CCH)	H(CCH)	109.5155	2.757	20	109.5155	7.603	20	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CHHO)(H)2	H(CCH)	H(CCH)	C(CHHO)(H)2	H(CCH)	H(CCH)	110.0622	6.548	23	110.0622	42.870	23	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CHHP)(H)2	H(CCH)	H(CCH)	C(CHHP)(H)2	H(CCH)	H(CCH)	107.9952	2.400	4	107.9952	5.761	4	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CHHS)(H)2	H(CCH)	H(CCH)	C(CHHS)(H)2	H(CCH)	H(CCH)	109.5017	3.585	3	109.5017	12.853	3	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CNNU)(H)2	H(CCH)	H(CCH)	C(CNNU)(H)2	H(CCH)	H(CCH)	99.6573	0.000	1	99.6573	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CN[5]CH)(H)2	H(CCH)	H(CCH)	C(CN[5]CH)(H)2	H(CCH)	H(CCH)	113.9455	20.824	2	113.9455	433.622	2	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CN[5]HH)(H)2	H(CCH)	H(CCH)	C(CN[5]HH)(H)2	H(CCH)	H(CCH)	109.2370	1.718	3	109.2370	2.952	3	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CN[5a]HH)(H)2	H(CCH)	H(CCH)	C(CN[5a]HH)(H)2	H(CCH)	H(CCH)	109.3240	0.000	1	109.3240	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CN[6]CH)(H)2	H(CCH)	H(CCH)	C(CN[6]CH)(H)2	H(CCH)	H(CCH)	107.8540	0.000	1	107.8540	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CN[6]HH)(H)2	H(CCH)	H(CCH)	C(CN[6]HH)(H)2	H(CCH)	H(CCH)	108.5535	1.078	2	108.5535	1.163	2	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CRhCH)(H)2	H(CCH)	H(CCH)	C(CRhCH)(H)2	H(CCH)	H(CCH)	107.2070	0.000	1	107.2070	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CRuCC)(H)2	H(CCH)	H(CCH)	C(CRuCC)(H)2	H(CCH)	H(CCH)	105.8690	0.000	1	105.8690	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CSiCC)(H)2	H(CCH)	H(CCH)	C(CSiCC)(H)2	H(CCH)	H(CCH)	108.1278	4.318	5	108.1278	18.647	5	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CSiCH)(H)2	H(CCH)	H(CCH)	C(CSiCH)(H)2	H(CCH)	H(CCH)	119.9940	0.000	1	119.9940	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CTaNN)(H)2	H(CCH)	H(CCH)	C(CTaNN)(H)2	H(CCH)	H(CCH)	120.0010	0.000	1	120.0010	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CThNO)(H)2	H(CCH)	H(CCH)	C(CThNO)(H)2	H(CCH)	H(CCH)	119.9720	0.000	1	119.9720	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CTiCN)(H)2	H(CCH)	H(CCH)	C(CTiCN)(H)2	H(CCH)	H(CCH)	122.3520	0.000	1	122.3520	0.000	1	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	C-3:	C-3:	C(CTiHO)(H)2	H(CCH)	H(CCH)	C(CTiHO)(H)2	H(CCH)	H(CCH)	119.9810	0.020	2	119.9810	0.000	2	109.1341	23.243	501	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[3,6]-4:H-1:H-1:	C-3:	C-3:	C(C[3,6]C[3,6]C[6]O[3])(H)2	H(CC[3,6]H)	H(CC[3,6]H)	C(C[3,6]C[3,6]C[6]O[3])(H)2	H(CC[3,6]H)	H(CC[3,6]H)	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[3]-4:H-1:H-1:	C-3:	C-3:	C(C[3]C[6a]C[3]N[3])(H)2	H(CC[3]H)	H(CC[3]H)	C(C[3]C[6a]C[3]N[3])(H)2	H(CC[3]H)	H(CC[3]H)	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5,5,6]-4:H-1:H-1:	C-3:	C-3:	C(C[5,5,6]C[3,5,6]C[5,6]N[5,5])(H)2	H(CC[5,5,6]H)	H(CC[5,5,6]H)	C(C[5,5,6]C[3,5,6]C[5,6]N[5,5])(H)2	H(CC[5,5,6]H)	H(CC[5,5,6]H)	106.9760	0.000	1	106.9760	0.000	1	106.9760	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5,5]-4:H-1:H-1:	C-3:	C-3:	C(C[5,5]C[5,5,6]2C)(H)2	H(CC[5,5]H)	H(CC[5,5]H)	C(C[5,5]C[5,5,6]2C)(H)2	H(CC[5,5]H)	H(CC[5,5]H)	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5,6,6]-4:H-1:H-1:	C-3:	C-3:	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	H(CC[5,6,6]H)	H(CC[5,6,6]H)	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	H(CC[5,6,6]H)	H(CC[5,6,6]H)	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,6,6]C[5]C[6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,6,6]C[5]C[6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	104.8770	0.000	1	104.8770	0.000	1	105.5967	0.817	3	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,6]C[5]C[6])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	106.6110	0.000	1	106.6110	0.000	1	105.5967	0.817	3	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5,6]-4:H-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	C(C[5,6]C[5,6]C[6]N[5])(H)2	H(CC[5,6]H)	H(CC[5,6]H)	105.3020	0.000	1	105.3020	0.000	1	105.5967	0.817	3	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5,5,6]O[5]C)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5,5,6]O[5]C)(H)2	H(CC[5]H)	H(CC[5]H)	108.3700	0.000	1	108.3700	0.000	1	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Fe)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Fe)(H)2	H(CC[5]H)	H(CC[5]H)	110.2058	12.144	5	110.2058	147.482	5	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2H)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2H)(H)2	H(CC[5]H)	H(CC[5]H)	111.4394	11.398	4	111.4394	129.914	4	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Ir)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Ir)(H)2	H(CC[5]H)	H(CC[5]H)	108.2731	10.303	7	108.2731	106.162	7	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2La)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2La)(H)2	H(CC[5]H)	H(CC[5]H)	99.4244	0.000	1	99.4244	0.000	1	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2O)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2O)(H)2	H(CC[5]H)	H(CC[5]H)	109.5760	0.000	1	109.5760	0.000	1	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Pr)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Pr)(H)2	H(CC[5]H)	H(CC[5]H)	99.6490	0.000	1	99.6490	0.000	1	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Rh)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Rh)(H)2	H(CC[5]H)	H(CC[5]H)	97.8559	8.657	3	97.8559	74.943	3	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Ru)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Ru)(H)2	H(CC[5]H)	H(CC[5]H)	108.1527	4.113	3	108.1527	16.918	3	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Sm)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Sm)(H)2	H(CC[5]H)	H(CC[5]H)	103.8327	1.517	3	103.8327	2.303	3	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Ti)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Ti)(H)2	H(CC[5]H)	H(CC[5]H)	97.7187	0.621	2	97.7187	0.386	2	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2U)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2U)(H)2	H(CC[5]H)	H(CC[5]H)	99.2731	0.000	1	99.2731	0.000	1	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]2Zr)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]2Zr)(H)2	H(CC[5]H)	H(CC[5]H)	103.5420	0.000	1	103.5420	0.000	1	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]C[5]N[5]C)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]C[5]N[5]C)(H)2	H(CC[5]H)	H(CC[5]H)	106.7266	6.464	8	106.7266	41.786	8	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[5]-4:H-1:H-1:	C-3:	C-3:	C(C[5]O[5]2C)(H)2	H(CC[5]H)	H(CC[5]H)	C(C[5]O[5]2C)(H)2	H(CC[5]H)	H(CC[5]H)	102.2145	1.699	4	102.2145	2.887	4	105.8259	66.524	45	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6,6]-4:H-1:H-1:	C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	C(C[6,6]C[6,6]2C[6])(H)2	H(CC[6,6]H)	H(CC[6,6]H)	136.1255	8.436	2	136.1255	71.174	2	136.1255	71.174	2	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]O)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[5,6]C[6]O)(H)2	H(CC[6]H)	H(CC[6]H)	100.5330	0.000	1	100.5330	0.000	1	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[6,6]C[6]H)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6]C[6]H)(H)2	H(CC[6]H)	H(CC[6]H)	117.9520	0.000	1	117.9520	0.000	1	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]2C)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]2C)(H)2	H(CC[6]H)	H(CC[6]H)	102.8086	8.536	5	102.8086	72.870	5	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]2H)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]2H)(H)2	H(CC[6]H)	H(CC[6]H)	105.3359	3.440	6	105.3359	11.837	6	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]2Ru)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]2Ru)(H)2	H(CC[6]H)	H(CC[6]H)	102.9340	3.649	4	102.9340	13.315	4	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]N[6]C)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]N[6]C)(H)2	H(CC[6]H)	H(CC[6]H)	117.1847	7.241	3	117.1847	52.430	3	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]C[6]N[6]H)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]C[6]N[6]H)(H)2	H(CC[6]H)	H(CC[6]H)	113.3130	7.084	3	113.3130	50.188	3	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	C[6]-4:H-1:H-1:	C-3:	C-3:	C(C[6]O[6]2C)(H)2	H(CC[6]H)	H(CC[6]H)	C(C[6]O[6]2C)(H)2	H(CC[6]H)	H(CC[6]H)	108.4045	0.995	2	108.4045	0.990	2	107.3833	56.675	25	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	In-4:H-1:H-1:	C-3:	C-3:	C(InCCN)(H)2	H(CInH)	H(CInH)	C(InCCN)(H)2	H(CInH)	H(CInH)	98.4484	0.000	1	98.4484	0.000	1	98.4484	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NC3)(H)2	H(CHN)	H(CHN)	C(NC3)(H)2	H(CHN)	H(CHN)	109.8461	2.531	7	109.8461	6.408	7	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NCCH)(H)2	H(CHN)	H(CHN)	C(NCCH)(H)2	H(CHN)	H(CHN)	109.3280	0.000	1	109.3280	0.000	1	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NCuHH)(H)2	H(CHN)	H(CHN)	C(NCuHH)(H)2	H(CHN)	H(CHN)	108.9800	1.694	2	108.9800	2.870	2	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NH3)(H)2	H(CHN)	H(CHN)	C(NH3)(H)2	H(CHN)	H(CHN)	107.1890	0.000	1	107.1890	0.000	1	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NPtCC)(H)2	H(CHN)	H(CHN)	C(NPtCC)(H)2	H(CHN)	H(CHN)	104.1385	5.608	2	104.1385	31.450	2	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NPtCH)(H)2	H(CHN)	H(CHN)	C(NPtCH)(H)2	H(CHN)	H(CHN)	123.5700	0.000	1	123.5700	0.000	1	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N-4:H-1:H-1:	C-3:	C-3:	C(NRuCC)(H)2	H(CHN)	H(CHN)	C(NRuCC)(H)2	H(CHN)	H(CHN)	108.4130	0.000	1	108.4130	0.000	1	109.5773	24.005	15	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	N[5,5]-4:H-1:H-1:	C-3:	C-3:	C(N[5,5]C[5,5]C[5]2)(H)2	H(CN[5,5]H)	H(CN[5,5]H)	C(N[5,5]C[5,5]C[5]2)(H)2	H(CN[5,5]H)	H(CN[5,5]H)	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	O-4:H-1:H-1:	C-3:	C-3:	C(OZn2H)(H)2	H(CHO)	H(CHO)	C(OZn2H)(H)2	H(CHO)	H(CHO)	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PBCC)(H)2	H(CHP)	H(CHP)	C(PBCC)(H)2	H(CHP)	H(CHP)	111.8530	0.000	1	111.8530	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PCCW)(H)2	H(CHP)	H(CHP)	C(PCCW)(H)2	H(CHP)	H(CHP)	104.4603	5.445	3	104.4603	29.643	3	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PC[6]CC)(H)2	H(CHP)	H(CHP)	C(PC[6]CC)(H)2	H(CHP)	H(CHP)	108.6530	0.000	1	108.6530	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PC[6a]PtC)(H)2	H(CHP)	H(CHP)	C(PC[6a]PtC)(H)2	H(CHP)	H(CHP)	103.6700	0.000	1	103.6700	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PCoCC)(H)2	H(CHP)	H(CHP)	C(PCoCC)(H)2	H(CHP)	H(CHP)	112.4297	6.716	4	112.4297	45.109	4	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PFeCC)(H)2	H(CHP)	H(CHP)	C(PFeCC)(H)2	H(CHP)	H(CHP)	109.4510	0.000	1	109.4510	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PIrCC)(H)2	H(CHP)	H(CHP)	C(PIrCC)(H)2	H(CHP)	H(CHP)	104.5140	0.000	1	104.5140	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PN3)(H)2	H(CHP)	H(CHP)	C(PN3)(H)2	H(CHP)	H(CHP)	127.4670	0.000	1	127.4670	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PNiCC)(H)2	H(CHP)	H(CHP)	C(PNiCC)(H)2	H(CHP)	H(CHP)	108.6497	6.967	3	108.6497	48.533	3	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PO3)(H)2	H(CHP)	H(CHP)	C(PO3)(H)2	H(CHP)	H(CHP)	107.9740	0.000	1	107.9740	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PPtCC)(H)2	H(CHP)	H(CHP)	C(PPtCC)(H)2	H(CHP)	H(CHP)	109.2880	0.000	1	109.2880	0.000	1	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P-4:H-1:H-1:	C-3:	C-3:	C(PReCC)(H)2	H(CHP)	H(CHP)	C(PReCC)(H)2	H(CHP)	H(CHP)	109.4705	0.667	2	109.4705	0.445	2	109.5430	41.846	20	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	P[5]-4:H-1:H-1:	C-3:	C-3:	C(P[5]C[5,6a]2C[6a])(H)2	H(CP[5]H)	H(CP[5]H)	C(P[5]C[5,6a]2C[6a])(H)2	H(CP[5]H)	H(CP[5]H)	117.0160	0.000	1	117.0160	0.000	1	117.0160	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	C-3:	C-3:	C(SC3)(H)2	H(CHS)	H(CHS)	C(SC3)(H)2	H(CHS)	H(CHS)	109.5630	0.000	1	109.5630	0.000	1	110.5798	142.454	4	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	S-4:H-1:H-1:	C-3:	C-3:	C(SO3)(H)2	H(CHS)	H(CHS)	C(SO3)(H)2	H(CHS)	H(CHS)	110.9188	14.594	3	110.9188	212.991	3	110.5798	142.454	4	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiC3)(H)2	H(CSiH)	H(CSiH)	C(SiC3)(H)2	H(CSiH)	H(CSiH)	107.8300	7.437	8	107.8300	55.315	8	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiCCN)(H)2	H(CSiH)	H(CSiH)	C(SiCCN)(H)2	H(CSiH)	H(CSiH)	114.7003	6.303	3	114.7003	39.726	3	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiCCS)(H)2	H(CSiH)	H(CSiH)	C(SiCCS)(H)2	H(CSiH)	H(CSiH)	110.0270	0.000	1	110.0270	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiC[5]CC)(H)2	H(CSiH)	H(CSiH)	C(SiC[5]CC)(H)2	H(CSiH)	H(CSiH)	104.6957	8.170	8	104.6957	66.753	8	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiC[6]CC)(H)2	H(CSiH)	H(CSiH)	C(SiC[6]CC)(H)2	H(CSiH)	H(CSiH)	94.1833	2.664	2	94.1833	7.096	2	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiC[6a]3)(H)2	H(CSiH)	H(CSiH)	C(SiC[6a]3)(H)2	H(CSiH)	H(CSiH)	107.4840	0.000	1	107.4840	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiFeCO)(H)2	H(CSiH)	H(CSiH)	C(SiFeCO)(H)2	H(CSiH)	H(CSiH)	104.9610	0.000	1	104.9610	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiMoCN)(H)2	H(CSiH)	H(CSiH)	C(SiMoCN)(H)2	H(CSiH)	H(CSiH)	108.8110	0.000	1	108.8110	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiN[4,6]CC)(H)2	H(CSiH)	H(CSiH)	C(SiN[4,6]CC)(H)2	H(CSiH)	H(CSiH)	121.6540	0.000	1	121.6540	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiN[6]CC)(H)2	H(CSiH)	H(CSiH)	C(SiN[6]CC)(H)2	H(CSiH)	H(CSiH)	99.5789	0.000	1	99.5789	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiNb[10x3]CC)(H)2	H(CSiH)	H(CSiH)	C(SiNb[10x3]CC)(H)2	H(CSiH)	H(CSiH)	101.7970	0.000	1	101.7970	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiSiCC)(H)2	H(CSiH)	H(CSiH)	C(SiSiCC)(H)2	H(CSiH)	H(CSiH)	117.4600	0.000	1	117.4600	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiSi[4]CC)(H)2	H(CSiH)	H(CSiH)	C(SiSi[4]CC)(H)2	H(CSiH)	H(CSiH)	103.3590	0.000	1	103.3590	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si-4:H-1:H-1:	C-3:	C-3:	C(SiSi[5]CC)(H)2	H(CSiH)	H(CSiH)	C(SiSi[5]CC)(H)2	H(CSiH)	H(CSiH)	104.2610	0.000	1	104.2610	0.000	1	106.8408	64.618	31	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	4:1:1:	3:	3:	Si[5]-4:H-1:H-1:	C-3:	C-3:	C(Si[5]C[5]P[5]C)(H)2	H(CSi[5]H)	H(CSi[5]H)	C(Si[5]C[5]P[5]C)(H)2	H(CSi[5]H)	H(CSi[5]H)	101.6070	0.000	1	101.6070	0.000	1	101.6070	0.000	1	108.8205	33.575	656	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	5:1:1:	3:	3:	C-5:H-1:H-1:	C-3:	C-3:	C(CHHNW)(H)2	H(CCH)	H(CCH)	C(CHHNW)(H)2	H(CCH)	H(CCH)	89.6674	0.000	1	89.6674	0.000	1	89.6674	0.000	1	95.9732	79.526	2	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	5:1:1:	3:	3:	Si-5:H-1:H-1:	C-3:	C-3:	C(SiCHNY)(H)2	H(CSiH)	H(CSiH)	C(SiCHNY)(H)2	H(CSiH)	H(CSiH)	102.2790	0.000	1	102.2790	0.000	1	102.2790	0.000	1	95.9732	79.526	2	115.7144	42.259	6801	115.7144	42.259	6801
930	951	951	0:SP2_SP-NON_SP-NON	C	H	H	6:1:1:	3:	3:	Nb[5,5]-6:H-1:H-1:	C-3:	C-3:	C(Nb[5,5]N[5,5]P[5]2OO)(H)2	H(CNb[5,5]H)	H(CNb[5,5]H)	C(Nb[5,5]N[5,5]P[5]2OO)(H)2	H(CNb[5,5]H)	H(CNb[5,5]H)	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	115.7144	42.259	6801	115.7144	42.259	6801
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	C-3:	C-3:C-3:O-1:O-1:	C(CC[5]H)(SCOO)(H)	H(CCS)	S(CCH)2(O)2	C(CC[5]H)(SCOO)(H)	H(CCS)	S(CCH)2(O)2	114.8075	1.883	2	114.8075	3.546	2	114.8075	3.546	2	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(CC[5a]C[6a])(SC[6a]OO)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(CC[5a]C[6a])(SC[6a]OO)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.5910	0.000	1	116.5910	0.000	1	116.2590	0.220	2	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(CC[6a]N[5a])(SC[6a]OO)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(CC[6a]N[5a])(SC[6a]OO)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	115.9270	0.000	1	115.9270	0.000	1	116.2590	0.220	2	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	115.8011	0.968	7	115.8011	0.937	7	116.7371	2.372	16	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	117.0060	1.318	7	117.0060	1.738	7	116.7371	2.372	16	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[5]C[5]2)(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	C(C[5]C[5]2)(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	118.0760	0.000	1	118.0760	0.000	1	116.7371	2.372	16	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C[5]-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[5]C[5]N[5])(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	C(C[5]C[5]N[5])(SC[6a]OO)(H)	H(CC[5]S)	S(C[6a]C[6a]2)(CC[5]H)(O)2	120.0680	0.000	1	120.0680	0.000	1	116.7371	2.372	16	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C[6]-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	H(CC[6]S)	S(C[6a]C[6a]2)(CC[6]H)(O)2	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	H(CC[6]S)	S(C[6a]C[6a]2)(CC[6]H)(O)2	111.7540	6.603	2	111.7540	43.599	2	112.6003	23.948	3	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:3:1:1:	C[6]-3:S-4:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6]N[6]S[6])(SC[6a]OO)(H)	H(CC[6]S)	S(C[6a]C[6a]2)(CC[6]H)(O)2	C(C[6]N[6]S[6])(SC[6a]OO)(H)	H(CC[6]S)	S(C[6a]C[6a]2)(CC[6]H)(O)2	114.2930	0.000	1	114.2930	0.000	1	112.6003	23.948	3	115.9882	6.072	23	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:4:1:1:	C[5]-3:S-4:H-1:	C-3:	C-3:C-4:O-1:O-1:	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	H(CC[5]S)	S(CC[5]H)(CH3)(O)2	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	H(CC[5]S)	S(CC[5]H)(CH3)(O)2	117.1860	0.000	1	117.1860	0.000	1	116.6090	0.336	4	116.6090	0.336	4	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	3:4:1:1:	C[5]-3:S-4:H-1:	C-3:	C-3:C-4:O-1:O-1:	C(C[5]C[5,6a]2)(SCOO)(H)	H(CC[5]S)	S(CC[5]H)(CH3)(O)2	C(C[5]C[5,6a]2)(SCOO)(H)	H(CC[5]S)	S(CC[5]H)(CH3)(O)2	116.4167	0.531	3	116.4167	0.282	3	116.6090	0.336	4	116.6090	0.336	4	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CC[5a]HH)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CC[5a]HH)(CCH)(O)2	118.1570	0.000	1	118.1570	0.000	1	118.1514	12.699	7	118.1514	12.699	7	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CC[6a]HH)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CC[6a]HH)(CCH)(O)2	118.9920	0.000	1	118.9920	0.000	1	118.1514	12.699	7	118.1514	12.699	7	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CHHP)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CHHP)(CCH)(O)2	119.7435	0.419	2	119.7435	0.176	2	118.1514	12.699	7	118.1514	12.699	7	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	3:4:1:	3:	4:3:1:1:	C-3:S-4:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CHHS)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	H(CCS)	S(CHHS)(CCH)(O)2	116.8080	5.693	3	116.8080	32.414	3	118.1514	12.699	7	118.1514	12.699	7	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:1:1:	3:	2:3:1:1:	S-4:H-1:H-1:	C-3:	O-2:C-3:O-1:O-1:	C(SO3)(H)2	H(CHS)	S(OC[5])(CHH)(O)2	C(SO3)(H)2	H(CHS)	S(OC[5])(CHH)(O)2	108.7537	3.631	4	108.7537	13.184	4	107.3185	13.537	6	107.3185	13.537	6	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:1:1:	3:	2:3:1:1:	S-4:H-1:H-1:	C-3:	O-2:C-3:O-1:O-1:	C(SO3)(H)2	H(CHS)	S(OC[6])(CHH)(O)2	C(SO3)(H)2	H(CHS)	S(OC[6])(CHH)(O)2	104.4480	1.847	2	104.4480	3.411	2	107.3185	13.537	6	107.3185	13.537	6	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:1:1:	3:	3:4:4:3:	S-4:H-1:H-1:	C-3:	C-3:C-4:C-4:C-3:	C(SC3)(H)2	H(CHS)	S(CC[5]I)(CH3)2(CHH)	C(SC3)(H)2	H(CHS)	S(CC[5]I)(CH3)2(CHH)	107.5875	3.333	2	107.5875	11.106	2	107.5875	11.106	2	107.5875	11.106	2	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:2:1:	3:	4:3:2:1:	S-4:C-2:H-1:	C-3:	C-4:C-3:O-2:O-1:	C(SCOO)(CN)(H)	H(CCS)	S(CH3)(CCH)(OLi)(O)	C(SCOO)(CN)(H)	H(CCS)	S(CH3)(CCH)(OLi)(O)	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C-3:N-3:O-1:O-1:	C(SNOO)(CHH)(H)	H(CCS)	S(CCH)(NCH)(O)2	C(SNOO)(CHH)(H)	H(CCS)	S(CCH)(NCH)(O)2	118.9040	0.000	1	118.9040	0.000	1	118.9040	0.000	1	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCC)(H)	H(CCS)	S(C[6a]C[6a,6a]C[6a])(CCH)(O)2	C(SC[6a]OO)(CCC)(H)	H(CCS)	S(C[6a]C[6a,6a]C[6a])(CCH)(O)2	116.2430	0.000	1	116.2430	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCC)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCC)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	118.5360	0.000	1	118.5360	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	117.1625	2.760	13	117.1625	7.616	13	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCN)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCN)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.9910	1.257	2	116.9910	1.581	2	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[3]Se)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[3]Se)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.7490	0.000	1	116.7490	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6]H)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6]H)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	115.0290	0.000	1	115.0290	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Cl)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]Cl)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.9947	0.685	3	116.9947	0.469	3	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]H)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	118.8383	2.081	12	118.8383	4.332	12	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]I)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]I)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	115.3415	0.903	2	115.3415	0.815	2	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]N)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]N)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.6090	1.259	2	116.6090	1.584	2	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]O)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	118.1770	0.000	1	118.1770	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]S)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]S)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.7923	0.429	3	116.7923	0.184	3	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Se)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]Se)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	116.7275	0.042	2	116.7275	0.002	2	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CHH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CHH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	119.6540	0.000	1	119.6540	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CHN)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CHN)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	120.0955	0.271	2	120.0955	0.073	2	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CPdH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CPdH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	117.5160	0.000	1	117.5160	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CSeC)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CSeC)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(O)2	117.0450	0.000	1	117.0450	0.000	1	117.5717	4.378	49	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:1:1:	S-4:C-3:H-1:	C-3:	N[6]-3:C-3:O-1:O-1:	C(SN[6]OO)(CHH)(H)	H(CCS)	S(N[6]C[6]2)(CCH)(O)2	C(SN[6]OO)(CHH)(H)	H(CCS)	S(N[6]C[6]2)(CCH)(O)2	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	117.6333	4.300	51	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:2:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CCC)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	C(SC[6a]NO)(CCC)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	116.4400	0.587	3	116.4400	0.345	3	116.7243	13.992	6	116.7243	13.992	6	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:2:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CCH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NS)(O)	C(SC[6a]NO)(CCH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NS)(O)	120.1920	0.000	1	120.1920	0.000	1	116.7243	13.992	6	116.7243	13.992	6	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:2:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CC[6a]2)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	C(SC[6a]NO)(CC[6a]2)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	110.2410	0.000	1	110.2410	0.000	1	116.7243	13.992	6	116.7243	13.992	6	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:3:2:1:	S-4:C-3:H-1:	C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CHH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NS)(O)	C(SC[6a]NO)(CHH)(H)	H(CCS)	S(C[6a]C[6a]2)(CCH)(NS)(O)	120.5930	0.000	1	120.5930	0.000	1	116.7243	13.992	6	116.7243	13.992	6	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	3:4:4:3:	S-4:C-3:H-1:	C-3:	C[5]-3:C-4:C-4:C-3:	C(SC[5]CC)(CHH)(H)	H(CCS)	S(C[5]C[5]2)(CH3)2(CCH)	C(SC[5]CC)(CHH)(H)	H(CCS)	S(C[5]C[5]2)(CH3)2(CCH)	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	4:3:1:1:	S-4:C-3:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(SCOO)(CCH)(H)	H(CCS)	S(CCHH)(CCH)(O)2	C(SCOO)(CCH)(H)	H(CCS)	S(CCHH)(CCH)(O)2	119.7360	0.000	1	119.7360	0.000	1	117.2675	12.187	2	117.0160	4.159	4	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	4:3:1:1:	S-4:C-3:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(SCOO)(CCN)(H)	H(CCS)	S(CH3)(CCH)(O)2	C(SCOO)(CCN)(H)	H(CCS)	S(CH3)(CCH)(O)2	114.7990	0.000	1	114.7990	0.000	1	117.2675	12.187	2	117.0160	4.159	4	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:3:1:	3:	4:3:1:1:	S-4:C-3:H-1:	C-3:	C[6]-4:C-3:O-1:O-1:	C(SC[6]OO)(CC[6a]N)(H)	H(CCS)	S(C[6]C[6]2H)(CCH)(O)2	C(SC[6]OO)(CC[6a]N)(H)	H(CCS)	S(C[6]C[6]2H)(CCH)(O)2	116.7645	0.192	2	116.7645	0.037	2	116.7645	0.037	2	117.0160	4.159	4	116.4075	12.728	107	116.4075	12.728	107
930	951	952	0:SP2_SP-NON_SP3	C	H	S	4:4:1:	3:	4:3:1:1:	S-4:S-4:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(SCOO)2(H)	H(CSS)	S(CF3)(CHS)(O)2	C(SCOO)2(H)	H(CSS)	S(CF3)(CHS)(O)2	116.0160	0.901	2	116.0160	0.812	2	116.0160	0.812	2	116.0160	0.812	2	116.4075	12.728	107	116.4075	12.728	107
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	2:3:1:	3:	3:3:	I-2:C-3:H-1:	C-3:	C[6a]-3:C-3:	C(IC[6a])(CCC)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCC)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	118.6705	0.037	2	118.6705	0.001	2	116.7961	24.935	10	116.7961	24.935	10	117.1831	21.220	12	117.1831	21.220	12
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	2:3:1:	3:	3:3:	I-2:C-3:H-1:	C-3:	C[6a]-3:C-3:	C(IC[6a])(CCN)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCN)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	118.5040	0.000	1	118.5040	0.000	1	116.7961	24.935	10	116.7961	24.935	10	117.1831	21.220	12	117.1831	21.220	12
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	2:3:1:	3:	3:3:	I-2:C-3:H-1:	C-3:	C[6a]-3:C-3:	C(IC[6a])(CCO)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCO)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	119.0377	0.051	3	119.0377	0.003	3	116.7961	24.935	10	116.7961	24.935	10	117.1831	21.220	12	117.1831	21.220	12
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	2:3:1:	3:	3:3:	I-2:C-3:H-1:	C-3:	C[6a]-3:C-3:	C(IC[6a])(CClC)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CClC)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	111.7630	10.704	2	111.7630	114.580	2	116.7961	24.935	10	116.7961	24.935	10	117.1831	21.220	12	117.1831	21.220	12
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	2:3:1:	3:	3:3:	I-2:C-3:H-1:	C-3:	C[6a]-3:C-3:	C(IC[6a])(CHN)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CHN)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	111.7440	0.000	1	111.7440	0.000	1	116.7961	24.935	10	116.7961	24.935	10	117.1831	21.220	12	117.1831	21.220	12
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	2:3:1:	3:	3:3:	I-2:C-3:H-1:	C-3:	C[6a]-3:C-3:	C(IC[6a])(CHO)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CHO)(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	119.7330	0.000	1	119.7330	0.000	1	116.7961	24.935	10	116.7961	24.935	10	117.1831	21.220	12	117.1831	21.220	12
930	951	953	0:SP2_SP-NON_SP-NON	C	H	I	3:2:1:	3:	3:3:	C-3:I-2:H-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]O)(IC[6a])(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	C(CC[6a]O)(IC[6a])(H)	H(CCI)	I(C[6a]C[6a]2)(CCH)	119.1180	0.140	2	119.1180	0.020	2	119.1180	0.020	2	119.1180	0.020	2	117.1831	21.220	12	117.1831	21.220	12
930	951	955	0:SP2_SP-NON_SP3	C	H	P[5]	4:1:1:	3:	3:3:3:3:	P[5]-4:H-1:H-1:	C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-3:	C(P[5]C[5,6a]2C[6a])(H)2	H(CP[5]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CHH)	C(P[5]C[5,6a]2C[6a])(H)2	H(CP[5]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CHH){4|H<1>,6|C<3>}	115.2610	0.082	2	115.2610	0.007	2	115.2610	0.007	2	115.2610	0.007	2	115.2610	0.007	2	115.2610	0.007	2
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:3:1:	N-2:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(NC[5a])(NCH)(H)	H(CNN)	N(CCHH)(CHN)(H)	C(NC[5a])(NCH)(H)	H(CNN)	N(CCHH)(CHN)(H)	114.5675	0.295	2	114.5675	0.087	2	114.5675	0.087	2	114.5675	0.087	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:3:3:	N-2:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(NC[6a])(NCC)(H)	H(CNN)	N(CH3)(CHN)2	C(NC[6a])(NCC)(H)	H(CNN)	N(CH3)(CHN)2	118.3658	0.244	4	118.3658	0.059	4	118.3658	0.059	4	118.3658	0.059	4	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	N-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	H(CNN)	N(CCHH)2(CHN)	C(NC[5a])(NCC)(H)	H(CNN)	N(CCHH)2(CHN)	118.5270	0.000	1	118.5270	0.000	1	118.4598	0.958	26	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	N-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	H(CNN)	N(CH3)2(CHN)	C(NC[5a])(NCC)(H)	H(CNN)	N(CH3)2(CHN)	118.4558	0.698	10	118.4558	0.487	10	118.4598	0.958	26	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	N-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NC[6])(NCC)(H)	H(CNN)	N(CH3)2(CHN)	C(NC[6])(NCC)(H)	H(CNN)	N(CH3)2(CHN)	118.9852	0.256	5	118.9852	0.065	5	118.4598	0.958	26	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	N-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(H)	H(CNN)	N(CH3)2(CHN)	C(NC[6a])(NCC)(H)	H(CNN)	N(CH3)2(CHN)	118.1945	1.384	10	118.1945	1.915	10	118.4598	0.958	26	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	O-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(OB[3x6])(NCC)(H)	H(CNO)	N(CH3)2(CHO)	C(OB[3x6])(NCC)(H)	H(CNO)	N(CH3)2(CHO)	119.5750	0.000	1	119.5750	0.000	1	118.8860	0.237	4	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	O-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(OIn[5,6])(NCC)(H)	H(CNO)	N(CH3)2(CHO)	C(OIn[5,6])(NCC)(H)	H(CNO)	N(CH3)2(CHO)	118.4290	0.000	1	118.4290	0.000	1	118.8860	0.237	4	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	2:3:1:	3:	4:4:3:	O-2:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(OIn[5])(NCC)(H)	H(CNO)	N(CH3)2(CHO)	C(OIn[5])(NCC)(H)	H(CNO)	N(CH3)2(CHO)	118.7700	0.018	2	118.7700	0.000	2	118.8860	0.237	4	118.5167	0.873	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:1:1:	N-3:H-1:H-1:	C-3:	C-3:O-1:O-1:	C(NOO)(H)2	H(CHN)	N(CHH)(O)2	C(NOO)(H)2	H(CHN)	N(CHH)(O)2	112.0620	2.152	2	112.0620	4.633	2	112.0620	4.633	2	115.2407	8.760	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:1:1:	N-3:H-1:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(H)(O)	H(CNO)	N(CHO)(H)2	C(NHH)(H)(O)	H(CNO)	N(CHO)(H)2	115.4677	2.904	28	115.4677	8.435	28	115.4677	8.435	28	115.2407	8.760	30	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:2:1:	N-3:H-1:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(H)(O)	H(CNO)	N(CHO)(NC)(H)	C(NHN)(H)(O)	H(CNO)	N(CHO)(NC)(H)	116.4372	2.218	5	116.4372	4.919	5	116.4372	4.919	5	116.4372	4.919	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CCC)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CCC)(CHO)(H)	117.2940	0.000	1	117.2940	0.000	1	118.2613	1.585	7	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CCH)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CCH)(CHO)(H)	117.3270	0.000	1	117.3270	0.000	1	118.2613	1.585	7	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CCO)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CCO)(CHO)(H)	118.8440	0.000	1	118.8440	0.000	1	118.2613	1.585	7	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CC[6a]C)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CC[6a]C)(CHO)(H)	118.1480	0.000	1	118.1480	0.000	1	118.2613	1.585	7	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CC[6a]O)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CC[6a]O)(CHO)(H)	117.6490	0.000	1	117.6490	0.000	1	118.2613	1.585	7	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CHO)2(H)	C(NCH)(H)(O)	H(CNO)	N(CHO)2(H)	119.2835	2.210	2	119.2835	4.883	2	118.2613	1.585	7	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(H)(O)	H(CNO)	N(CHO)(NCH)(H)	C(NHN)(H)(O)	H(CNO)	N(CHO)(NCH)(H)	111.3558	1.248	4	111.3558	1.558	4	111.6402	1.573	5	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(H)(O)	H(CNO)	N(CHO)(NHH)(H)	C(NHN)(H)(O)	H(CNO)	N(CHO)(NHH)(H)	112.7780	0.000	1	112.7780	0.000	1	111.6402	1.573	5	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(H)(O)	H(CNO)	N(C[5a]C[5a]2)(CHO)(H)	C(NC[5a]H)(H)(O)	H(CNO)	N(C[5a]C[5a]2)(CHO)(H)	117.6300	0.000	1	117.6300	0.000	1	117.6300	0.000	1	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	116.9040	0.000	1	116.9040	0.000	1	116.9665	1.807	44	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	117.8090	0.000	1	117.8090	0.000	1	116.9665	1.807	44	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CHO)(H)	116.9175	1.373	41	116.9175	1.884	41	116.9665	1.807	44	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(CNO)	N(C[6a]C[6a]N[6a])(CHO)(H)	118.1980	0.000	1	118.1980	0.000	1	116.9665	1.807	44	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(H)(O)	H(CNO)	N(N[5]C[5]2)(CHO)(H)	C(NN[5]H)(H)(O)	H(CNO)	N(N[5]C[5]2)(CHO)(H)	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(H)(O)	H(CNO)	N(N[5a]C[5a]N[5a])(CHO)(H)	C(NN[5a]H)(H)(O)	H(CNO)	N(N[5a]C[5a]N[5a])(CHO)(H)	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:1:	N-3:H-1:S-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(S)	H(CNS)	N(C[6a]C[6a]2)(CHS)(H)	C(NC[6a]H)(H)(S)	H(CNS)	N(C[6a]C[6a]2)(CHS)(H)	116.8018	0.878	5	116.8018	0.771	5	116.8018	0.771	5	116.6138	4.316	64	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:H-1:	C-3:	C-3:C-3:C-3:	C(NCC)(H)2	H(CHN)	N(CCC)(CCO)(CHH)	C(NCC)(H)2	H(CHN)	N(CCC)(CCO)(CHH)	108.2635	9.387	2	108.2635	88.113	2	115.3134	63.447	5	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:H-1:	C-3:	C-3:C-3:C-3:	C(NCC)(H)2	H(CHN)	N(CHH)2(CHO)	C(NCC)(H)2	H(CHN)	N(CHH)2(CHO)	120.0133	0.054	3	120.0133	0.003	3	115.3134	63.447	5	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C-3:C-3:C-3:	C(NCC)(H)(O)	H(CNO)	N(CHH)2(CHO)	C(NCC)(H)(O)	H(CNO)	N(CHH)2(CHO)	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[5]-3:C[6a]-3:C-3:	C(NC[6a]C[5])(H)(O)	H(CNO)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	C(NC[6a]C[5])(H)(O)	H(CNO)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[5a]-3:C[6a]-3:C-3:	C(NC[5a]C[6a])(H)(O)	H(CNO)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	C(NC[5a]C[6a])(H)(O)	H(CNO)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:B[5]-3:C-3:	C(NC[6a]B[5])(H)(O)	H(CNO)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	C(NC[6a]B[5])(H)(O)	H(CNO)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	117.5530	0.000	1	117.5530	0.000	1	117.5530	0.000	1	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(H)(O)	H(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C(NC[6a]2)(H)(O)	H(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	118.2805	0.011	2	118.2805	0.000	2	118.2805	0.000	2	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:N-3:C-3:	C(NC[6a]N)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C(NC[6a]N)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	116.3895	28.482	12	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	C-3:	C-3:C-4:C-3:	C(NCC)(H)2	H(CHN)	N(CC[5a]O)(CH3)(CHH)	C(NCC)(H)2	H(CHN)	N(CC[5a]O)(CH3)(CHH)	106.8676	19.306	2	106.8676	372.721	2	107.0316	127.620	4	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	C-3:	C-3:C-4:C-3:	C(NCC)(H)2	H(CHN)	N(CSeN)(CH3)(CHH)	C(NCC)(H)2	H(CHN)	N(CSeN)(CH3)(CHH)	107.1955	3.167	2	107.1955	10.031	2	107.0316	127.620	4	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(H)2	H(CHN)	N(C[5a]C[5a]S[5a])(CH3)(CHH)	C(NC[5a]C)(H)2	H(CHN)	N(C[5a]C[5a]S[5a])(CH3)(CHH)	104.4330	0.021	2	104.4330	0.000	2	104.4330	0.000	2	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)2	H(CHN)	N(C[6a]C[6a]2)(CCHH)(CHH)	C(NC[6a]C)(H)2	H(CHN)	N(C[6a]C[6a]2)(CCHH)(CHH)	95.7360	0.020	2	95.7360	0.000	2	107.9998	51.750	10	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)2	H(CHN)	N(C[6a]C[6a]2)(CH3)(CHH)	C(NC[6a]C)(H)2	H(CHN)	N(C[6a]C[6a]2)(CH3)(CHH)	111.0658	3.581	8	111.0658	12.820	8	107.9998	51.750	10	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CC[6]O)(CCHH)(CHO)	C(NCC)(H)(O)	H(CNO)	N(CC[6]O)(CCHH)(CHO)	118.9960	0.000	1	118.9960	0.000	1	118.9960	0.000	1	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CCCH)(CHO)	115.5500	2.813	2	115.5500	7.912	2	116.8408	1.515	14	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CCHH)(CHO)	117.1374	0.760	7	117.1374	0.577	7	116.8408	1.515	14	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	117.4810	0.000	1	117.4810	0.000	1	116.8408	1.515	14	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	117.1660	0.000	1	117.1660	0.000	1	116.8408	1.515	14	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)(O)	H(CNO)	N(C[6a]C[6a]2)(CH3)(CHO)	116.6873	1.375	3	116.6873	1.892	3	116.8408	1.515	14	111.9922	53.953	31	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	3:4:4:	N-3:Cl-1:H-1:	C-3:	C-3:C-4:C-4:	C(NCC)(Cl)(H)	H(CClN)	N(CClH)(CH3)2	C(NCC)(Cl)(H)	H(CClN)	N(CClH)(CH3)2	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CC3)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CC3)(CHO)(H)	116.6755	0.397	2	116.6755	0.157	2	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CCCH)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CCCH)(CHO)(H)	118.1210	0.000	1	118.1210	0.000	1	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CCHH)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CCHH)(CHO)(H)	116.5491	1.771	8	116.5491	3.138	8	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CCHO)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CCHO)(CHO)(H)	116.8810	1.435	2	116.8810	2.060	2	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CC[6]CH)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CC[6]CH)(CHO)(H)	116.5350	0.000	1	116.5350	0.000	1	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CC[6a]2H)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CC[6a]2H)(CHO)(H)	117.1237	0.386	3	117.1237	0.149	3	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CC[6a]HH)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CC[6a]HH)(CHO)(H)	115.3590	2.479	5	115.3590	6.145	5	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CF3)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CF3)(CHO)(H)	112.0620	0.000	1	112.0620	0.000	1	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	H(CNO)	N(CH3)(CHO)(H)	C(NCH)(H)(O)	H(CNO)	N(CH3)(CHO)(H)	112.8857	7.999	7	112.8857	63.978	7	115.4863	18.066	30	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(H)(O)	H(CNO)	N(C[5]C[5,5]C[5]H)(CHO)(H)	C(NC[5]H)(H)(O)	H(CNO)	N(C[5]C[5,5]C[5]H)(CHO)(H)	117.8060	0.000	1	117.8060	0.000	1	117.6205	0.069	2	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(H)(O)	H(CNO)	N(C[5]C[5]2Fe)(CHO)(H)	C(NC[5]H)(H)(O)	H(CNO)	N(C[5]C[5]2Fe)(CHO)(H)	117.4350	0.000	1	117.4350	0.000	1	117.6205	0.069	2	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(H)(O)	H(CNO)	N(C[6,6]C[3x6]2C)(CHO)(H)	C(NC[6,6]H)(H)(O)	H(CNO)	N(C[6,6]C[3x6]2C)(CHO)(H)	116.8148	0.188	4	116.8148	0.035	4	116.8148	0.035	4	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(H)(O)	H(CNO)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C(NC[6]H)(H)(O)	H(CNO)	N(C[6]C[5,6]C[6]H)(CHO)(H)	117.7780	0.000	1	117.7780	0.000	1	117.4284	0.407	5	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(H)(O)	H(CNO)	N(C[6]C[6]2C)(CHO)(H)	C(NC[6]H)(H)(O)	H(CNO)	N(C[6]C[6]2C)(CHO)(H)	116.3460	0.000	1	116.3460	0.000	1	117.4284	0.407	5	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(H)(O)	H(CNO)	N(C[6]C[6]2H)(CHO)(H)	C(NC[6]H)(H)(O)	H(CNO)	N(C[6]C[6]2H)(CHO)(H)	117.6727	0.277	3	117.6727	0.077	3	117.4284	0.407	5	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:1:	N-3:H-1:S-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(S)	H(CNS)	N(CC[6a]HH)(CHS)(H)	C(NCH)(H)(S)	H(CNS)	N(CC[6a]HH)(CHS)(H)	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	115.9724	13.465	42	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:2:	N-3:H-1:H-1:	C-3:	C-4:C-3:N-2:	C(NCN)(H)2	H(CHN)	N(CH3)(CHH)(NTa)	C(NCN)(H)2	H(CHN)	N(CH3)(CHH)(NTa)	119.9975	0.128	2	119.9975	0.016	2	119.9975	0.016	2	115.0178	36.967	4	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:2:	N-3:H-1:H-1:	C-3:	P[6]-4:C-3:C-2:	C(NP[6]C)(H)2	H(CHN)	N(P[6]N[6]2N)(CHH)(CH)	C(NP[6]C)(H)2	H(CHN)	N(P[6]N[6]2N)(CHH)(CH)	110.0380	3.420	2	110.0380	11.693	2	110.0380	11.693	2	115.0178	36.967	4	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:H-1:	C-3:	C-4:C-3:C-3:	C(NCC)(H)2	H(CHN)	N(CH3)(CHH)(CHO)	C(NCC)(H)2	H(CHN)	N(CH3)(CHH)(CHO)	113.0481	8.420	8	113.0481	70.901	8	112.2171	58.258	10	114.3518	38.514	19	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:H-1:	C-3:	C-4:C-3:C-3:	C(NCC)(H)2	H(CHN)	N(CH3)(CHH)(CNS)	C(NCC)(H)2	H(CHN)	N(CH3)(CHH)(CNS)	108.8930	0.626	2	108.8930	0.392	2	112.2171	58.258	10	114.3518	38.514	19	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(H)(O)	H(CNO)	N(CC[6a]HH)(CCH)(CHO)	C(NCC)(H)(O)	H(CNO)	N(CC[6a]HH)(CCH)(CHO)	117.2128	0.303	5	117.2128	0.092	5	116.6474	10.329	8	114.3518	38.514	19	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(H)(O)	H(CNO)	N(CH3)(CHH)(CHO)	C(NCC)(H)(O)	H(CNO)	N(CH3)(CHH)(CHO)	115.7050	5.817	3	115.7050	33.837	3	116.6474	10.329	8	114.3518	38.514	19	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:3:3:	N-3:H-1:O-1:	C-3:	C[3x6]-4:C-3:C-3:	C(NC[3x6]C)(H)(O)	H(CNO)	N(C[3x6]C[6,6]3)(CCH)(CHO)	C(NC[3x6]C)(H)(O)	H(CNO)	N(C[3x6]C[6,6]3)(CCH)(CHO)	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	114.3518	38.514	19	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)2	H(CHN)	N(CCHH)2(CHH)	C(NCC)(H)2	H(CHN)	N(CCHH)2(CHH)	112.3940	7.973	4	112.3940	63.565	4	112.3940	63.565	4	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	C-3:	P[5]-4:C-4:C-3:	C(NP[5]C)(H)2	H(CHN)	N(P[5]N[5,5]N[5]N)(CH3)(CHH)	C(NP[5]C)(H)2	H(CHN)	N(P[5]N[5,5]N[5]N)(CH3)(CHH)	111.0495	7.240	2	111.0495	52.419	2	111.0495	52.419	2	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	C-3:	P[6]-4:C-4:C-3:	C(NP[6]C)(H)2	H(CHN)	N(P[6]N[6]2N)(CH3)(CHH)	C(NP[6]C)(H)2	H(CHN)	N(P[6]N[6]2N)(CH3)(CHH)	103.2810	0.249	2	103.2810	0.062	2	103.2810	0.062	2	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CCCH)(CH3)(CHO)	C(NCC)(H)(O)	H(CNO)	N(CCCH)(CH3)(CHO)	116.7720	1.372	6	116.7720	1.884	6	117.1911	7.825	2060	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CCHH)2(CHO)	C(NCC)(H)(O)	H(CNO)	N(CCHH)2(CHO)	117.3241	1.642	17	117.3241	2.698	17	117.1911	7.825	2060	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CC[5]HH)2(CHO)	C(NCC)(H)(O)	H(CNO)	N(CC[5]HH)2(CHO)	124.1790	0.000	1	124.1790	0.000	1	117.1911	7.825	2060	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CH3)2(CHO)	C(NCC)(H)(O)	H(CNO)	N(CH3)2(CHO)	117.1876	2.806	2034	117.1876	7.874	2034	117.1911	7.825	2060	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CN[5a]HH)(CH3)(CHO)	C(NCC)(H)(O)	H(CNO)	N(CN[5a]HH)(CH3)(CHO)	117.4235	0.445	2	117.4235	0.198	2	117.1911	7.825	2060	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(H)(O)	H(CNO)	N(C[5]C[5]2Fe)(CCHH)(CHO)	C(NC[5]C)(H)(O)	H(CNO)	N(C[5]C[5]2Fe)(CCHH)(CHO)	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(H)(O)	H(CNO)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C(NC[6]C)(H)(O)	H(CNO)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	117.3285	0.349	2	117.3285	0.122	2	117.3285	0.122	2	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:S-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(S)	H(CNS)	N(CH3)2(CHS)	C(NCC)(H)(S)	H(CNS)	N(CH3)2(CHS)	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	4:4:3:	N-3:Se-1:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(Se)(H)	H(CSeN)	N(CC[6a]HH)2(CSeH)	C(NCC)(Se)(H)	H(CSeN)	N(CC[6a]HH)2(CSeH)	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	117.1589	8.178	2073	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	6:3:1:	N-3:H-1:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(H)(O)	H(CNO)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	H(CNO)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CHO)(H)	117.1230	0.000	1	117.1230	0.000	1	115.1270	7.968	2	115.2950	4.069	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	6:3:1:	N-3:H-1:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(H)(O)	H(CNO)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	H(CNO)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	113.1310	0.000	1	113.1310	0.000	1	115.1270	7.968	2	115.2950	4.069	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:1:1:	3:	6:3:1:	N-3:H-1:O-1:	C-3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C(NC[5x3,5x5,20x6]H)(H)(O)	H(CNO)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NC[5x3,5x5,20x6]H)(H)(O)	H(CNO)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	115.2950	4.069	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:1:1:	N-3:O-2:H-1:	C-3:	C-3:H-1:H-1:	C(NHH)(OCr)(H)	H(CNO)	N(CHO)(H)2	C(NHH)(OCr)(H)	H(CNO)	N(CHO)(H)2	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NO)(H)	H(CNN)	N(CCO)(CHN)(H)	C(NCH)(NO)(H)	H(CNN)	N(CCO)(CHN)(H)	120.8200	0.000	1	120.8200	0.000	1	117.8755	2.983	12	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NO)(H)	H(CNN)	N(CC[6a]O)(CHN)(H)	C(NCH)(NO)(H)	H(CNN)	N(CC[6a]O)(CHN)(H)	117.6078	1.528	11	117.6078	2.336	11	117.8755	2.983	12	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NN)(H)	H(CNN)	N(C[5a]C[5a]N[5a])(CHN)(H)	C(NC[5a]H)(NN)(H)	H(CNN)	N(C[5a]C[5a]N[5a])(CHN)(H)	117.5240	0.000	1	117.5240	0.000	1	117.5240	0.000	1	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	117.3662	2.317	13	117.3662	5.367	13	116.8138	5.870	19	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]N[6a])(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]N[6a])(CHN)(H)	115.9123	3.034	4	115.9123	9.204	4	116.8138	5.870	19	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NN)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	115.0265	0.206	2	115.0265	0.042	2	116.8138	5.870	19	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:N-2:H-1:	C-3:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(O)	C(NC[6a]O)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(O)	118.9100	0.000	1	118.9100	0.000	1	118.9100	0.000	1	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:1:	N-3:O-2:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OPd)(H)	H(CNO)	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(OPd)(H)	H(CNO)	N(C[6a]C[6a]2)(CHO)(H)	116.6905	0.179	2	116.6905	0.032	2	116.6905	0.032	2	117.2509	4.420	35	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:2:	N-3:N-2:H-1:	C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(OH)	C(NC[6a]O)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(OH)	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:3:	N-3:N-2:H-1:	C-3:	B[6,6]-3:C[6a]-3:C-3:	C(NB[6,6]C[6a])(NC[6a])(H)	H(CNN)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	C(NB[6,6]C[6a])(NC[6a])(H)	H(CNN)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	117.1643	4.671	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:3:	N-3:N-2:H-1:	C-3:	C[5]-3:C[6a]-3:C-3:	C(NC[6a]C[5])(NC[6a])(H)	H(CNN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	C(NC[6a]C[5])(NC[6a])(H)	H(CNN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	117.8785	1.248	2	117.8785	1.558	2	117.8785	1.558	2	117.1643	4.671	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:3:	N-3:N-2:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)2(CHN)	C(NC[6a]2)(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)2(CHN)	118.0910	0.000	1	118.0910	0.000	1	118.0910	0.000	1	117.1643	4.671	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:3:	N-3:N-2:H-1:	C-3:	C[6a]-3:P[4]-3:C-3:	C(NC[6a]P[4])(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C(NC[6a]P[4])(NC[6a])(H)	H(CNN)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	117.1643	4.671	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:3:3:	N-3:S-2:H-1:	C-3:	C[6a]-3:Ge-3:C-3:	C(NC[6a]Ge)(SW)(H)	H(CNS)	N(C[6a]C[6a]2)(GeCW)(CHS)	C(NC[6a]Ge)(SW)(H)	H(CNS)	N(C[6a]C[6a]2)(GeCW)(CHS)	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	117.1643	4.671	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:4:3:	N-3:N-2:H-1:	C-3:	B[5]-3:C-4:C-3:	C(NB[5]C)(NC)(H)	H(CNN)	N(B[5]O[5]2)(CC3)(CHN)	C(NB[5]C)(NC)(H)	H(CNN)	N(B[5]O[5]2)(CC3)(CHN)	117.6850	0.000	1	117.6850	0.000	1	117.6850	0.000	1	117.9013	1.581	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:4:3:	N-3:N-2:H-1:	C-3:	C[6]-3:C-4:C-3:	C(NC[6]C)(NC[6a])(H)	H(CNN)	N(C[6]C[6]N[6])(CCHH)(CHN)	C(NC[6]C)(NC[6a])(H)	H(CNN)	N(C[6]C[6]N[6])(CCHH)(CHN)	119.8120	0.000	1	119.8120	0.000	1	119.8120	0.000	1	117.9013	1.581	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:4:3:	N-3:N-2:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NS)(H)	H(CNN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(NS)(H)	H(CNN)	N(C[6a]C[6a]2)(CCHH)(CHN)	118.6590	0.000	1	118.6590	0.000	1	118.6590	0.000	1	117.9013	1.581	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:4:3:	N-3:O-2:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OPd)(H)	H(CNO)	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(OPd)(H)	H(CNO)	N(C[6a]C[6a]2)(CH3)(CHO)	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	117.9013	1.581	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	3:4:3:	N-3:O-2:H-1:	C-3:	N-3:C-4:C-3:	C(NCN)(OFe)(H)	H(CNO)	N(NFeC)(CH3)(CHO)	C(NCN)(OFe)(H)	H(CNO)	N(NFeC)(CH3)(CHO)	117.4770	0.839	2	117.4770	0.703	2	117.4770	0.703	2	117.9013	1.581	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:N-2:H-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NC)(H)	H(CNN)	N(CCCH)(CHN)(H)	C(NCH)(NC)(H)	H(CNN)	N(CCCH)(CHN)(H)	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:N-2:H-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(NC[5])(H)	H(CNN)	N(C[5]C[5]2Fe)(CHN)(H)	C(NC[5]H)(NC[5])(H)	H(CNN)	N(C[5]C[5]2Fe)(CHN)(H)	117.7460	0.059	4	117.7460	0.003	4	117.7460	0.003	4	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:N-2:H-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(H)	H(CNN)	N(C[6]C[6]2H)(CHN)(H)	C(NC[6]H)(NC[6a])(H)	H(CNN)	N(C[6]C[6]2H)(CHN)(H)	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:O-2:H-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OCo)(H)	H(CNO)	N(CH3)(CHO)(H)	C(NCH)(OCo)(H)	H(CNO)	N(CH3)(CHO)(H)	118.1315	0.398	11	118.1315	0.158	11	118.0661	0.526	19	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:O-2:H-1:	C-3:	C-4:C-3:H-1:	C(NCH)(ONi)(H)	H(CNO)	N(CH3)(CHO)(H)	C(NCH)(ONi)(H)	H(CNO)	N(CH3)(CHO)(H)	118.2558	0.498	6	118.2558	0.248	6	118.0661	0.526	19	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:O-2:H-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OZn)(H)	H(CNO)	N(CH3)(CHO)(H)	C(NCH)(OZn)(H)	H(CNO)	N(CH3)(CHO)(H)	117.1365	2.157	2	117.1365	4.654	2	118.0661	0.526	19	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:1:	N-3:S-2:H-1:	C-3:	C-4:C-3:O-1:	C(NCO)(SC)(H)	H(CNS)	N(CHHS)(CHS)(O)	C(NCO)(SC)(H)	H(CNS)	N(CHHS)(CHS)(O)	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.0028	0.432	26	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:3:	N-3:O-2:H-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OAl)(H)	H(CNO)	N(CC3)(CHO)(CNO)	C(NCC)(OAl)(H)	H(CNO)	N(CC3)(CHO)(CNO)	117.3720	0.000	1	117.3720	0.000	1	115.3200	3.484	3	116.7056	5.351	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:3:	N-3:O-2:H-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OCu)(H)	H(CNO)	N(CH3)(CHH)(CHO)	C(NCC)(OCu)(H)	H(CNO)	N(CH3)(CHH)(CHO)	114.8650	0.000	1	114.8650	0.000	1	115.3200	3.484	3	116.7056	5.351	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:3:	N-3:O-2:H-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OFe)(H)	H(CNO)	N(CH3)(CHH)(CHO)	C(NCC)(OFe)(H)	H(CNO)	N(CH3)(CHH)(CHO)	113.7230	0.000	1	113.7230	0.000	1	115.3200	3.484	3	116.7056	5.351	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:3:3:	N-3:O-2:H-1:	C-3:	C-4:N-3:C-3:	C(NCN)(OFe)(H)	H(CNO)	N(CCHH)(NFeC)(CHO)	C(NCN)(OFe)(H)	H(CNO)	N(CCHH)(NFeC)(CHO)	118.7840	0.191	2	118.7840	0.036	2	118.7840	0.036	2	116.7056	5.351	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:N-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NC)(H)	H(CNN)	N(CH3)2(CHN)	C(NCC)(NC)(H)	H(CNN)	N(CH3)2(CHN)	114.3215	1.271	4	114.3215	1.614	4	116.4398	5.863	8	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:N-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NN)(H)	H(CNN)	N(CH3)2(CHN)	C(NCC)(NN)(H)	H(CNN)	N(CH3)2(CHN)	118.7475	0.301	2	118.7475	0.090	2	116.4398	5.863	8	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:N-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NS)(H)	H(CNN)	N(CH3)2(CHN)	C(NCC)(NS)(H)	H(CNN)	N(CH3)2(CHN)	118.3685	0.260	2	118.3685	0.067	2	116.4398	5.863	8	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OAl)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OAl)(H)	H(CNO)	N(CH3)2(CHO)	118.6592	0.321	6	118.6592	0.103	6	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OB)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OB)(H)	H(CNO)	N(CH3)2(CHO)	118.6060	0.000	1	118.6060	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(H)	H(CNO)	N(CCCH)2(CHO)	C(NCC)(OC)(H)	H(CNO)	N(CCCH)2(CHO)	120.6875	0.416	2	120.6875	0.173	2	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OC)(H)	H(CNO)	N(CH3)2(CHO)	120.9300	0.000	1	120.9300	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OCa)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OCa)(H)	H(CNO)	N(CH3)2(CHO)	115.4590	0.000	1	115.4590	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OCd)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OCd)(H)	H(CNO)	N(CH3)2(CHO)	116.4194	2.352	16	116.4194	5.531	16	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OCo)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OCo)(H)	H(CNO)	N(CH3)2(CHO)	117.3285	1.708	16	117.3285	2.916	16	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OCr)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OCr)(H)	H(CNO)	N(CH3)2(CHO)	117.5610	0.904	5	117.5610	0.817	5	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OCu)(H)	H(CNO)	N(CCHH)2(CHO)	C(NCC)(OCu)(H)	H(CNO)	N(CCHH)2(CHO)	122.6440	0.000	1	122.6440	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OCu)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OCu)(H)	H(CNO)	N(CH3)2(CHO)	117.4426	1.011	48	117.4426	1.022	48	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OEu)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OEu)(H)	H(CNO)	N(CH3)2(CHO)	117.7143	0.436	3	117.7143	0.190	3	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OFe)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OFe)(H)	H(CNO)	N(CH3)2(CHO)	117.3308	1.437	19	117.3308	2.066	19	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OH)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OH)(H)	H(CNO)	N(CH3)2(CHO)	119.3115	0.747	2	119.3115	0.559	2	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OIn)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OIn)(H)	H(CNO)	N(CH3)2(CHO)	117.9900	0.000	1	117.9900	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OLi)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OLi)(H)	H(CNO)	N(CH3)2(CHO)	116.6289	3.173	9	116.6289	10.066	9	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OMg)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OMg)(H)	H(CNO)	N(CH3)2(CHO)	117.5235	1.145	24	117.5235	1.311	24	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OMn)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OMn)(H)	H(CNO)	N(CH3)2(CHO)	117.0678	1.231	32	117.0678	1.515	32	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OMo)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OMo)(H)	H(CNO)	N(CH3)2(CHO)	117.0340	1.964	7	117.0340	3.855	7	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(ONi)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(ONi)(H)	H(CNO)	N(CH3)2(CHO)	117.4370	1.243	67	117.4370	1.545	67	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OPd)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OPd)(H)	H(CNO)	N(CH3)2(CHO)	116.2137	2.534	3	116.2137	6.419	3	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OPt)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OPt)(H)	H(CNO)	N(CH3)2(CHO)	118.7370	0.187	2	118.7370	0.035	2	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(ORe)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(ORe)(H)	H(CNO)	N(CH3)2(CHO)	116.9005	0.616	2	116.9005	0.379	2	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(ORh)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(ORh)(H)	H(CNO)	N(CH3)2(CHO)	116.7870	0.000	1	116.7870	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(ORu)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(ORu)(H)	H(CNO)	N(CH3)2(CHO)	118.3510	1.107	11	118.3510	1.224	11	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OSn)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OSn)(H)	H(CNO)	N(CH3)2(CHO)	118.0445	0.453	2	118.0445	0.205	2	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OW)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OW)(H)	H(CNO)	N(CH3)2(CHO)	116.5040	0.000	1	116.5040	0.000	1	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OZn)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OZn)(H)	H(CNO)	N(CH3)2(CHO)	118.1593	1.533	28	118.1593	2.350	28	117.4873	2.365	311	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:S-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(H)	H(CNS)	N(CH3)2(CHS)	C(NCC)(SCu)(H)	H(CNS)	N(CH3)2(CHS)	115.9350	3.041	2	115.9350	9.245	2	117.3254	6.271	5	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:S-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(SH)(H)	H(CNS)	N(CH3)2(CHS)	C(NCC)(SH)(H)	H(CNS)	N(CH3)2(CHS)	120.7240	0.000	1	120.7240	0.000	1	117.3254	6.271	5	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:S-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(SMo)(H)	H(CNS)	N(CH3)2(CHS)	C(NCC)(SMo)(H)	H(CNS)	N(CH3)2(CHS)	116.6760	0.000	1	116.6760	0.000	1	117.3254	6.271	5	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:2:1:	3:	4:4:3:	N-3:S-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(SRh)(H)	H(CNS)	N(CH3)2(CHS)	C(NCC)(SRh)(H)	H(CNS)	N(CH3)2(CHS)	117.3570	0.000	1	117.3570	0.000	1	117.3254	6.271	5	117.4589	2.501	324	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(H)	H(CCN)	N(CCH)(H)2	C(CCC)(NHH)(H)	H(CCN)	N(CCH)(H)2	116.1893	0.245	4	116.1893	0.060	4	116.3848	0.142	6	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(CCS)(NHH)(H)	H(CCN)	N(CCH)(H)2	C(CCS)(NHH)(H)	H(CCN)	N(CCH)(H)2	116.5870	0.000	1	116.5870	0.000	1	116.3848	0.142	6	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(CHN)(NHH)(H)	H(CCN)	N(CCH)(H)2	C(CHN)(NHH)(H)	H(CCN)	N(CCH)(H)2	116.9650	0.000	1	116.9650	0.000	1	116.3848	0.142	6	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CCH)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CCH)(NOO)(H)	H(CCN)	N(CCH)(O)2	112.1740	1.512	3	112.1740	2.286	3	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[5a]C)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[5a]C)(NOO)(H)	H(CCN)	N(CCH)(O)2	117.3670	0.000	1	117.3670	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[5a]H)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[5a]H)(NOO)(H)	H(CCN)	N(CCH)(O)2	119.6180	0.332	10	119.6180	0.110	10	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]C)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]C)(NOO)(H)	H(CCN)	N(CCH)(O)2	118.2572	1.024	4	118.2572	1.049	4	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]Cl)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]Cl)(NOO)(H)	H(CCN)	N(CCH)(O)2	111.4860	0.000	1	111.4860	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]H)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]H)(NOO)(H)	H(CCN)	N(CCH)(O)2	118.3639	3.325	22	118.3639	11.058	22	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]N[6])(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]N[6])(NOO)(H)	H(CCN)	N(CCH)(O)2	111.1240	0.000	1	111.1240	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]O)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]O)(NOO)(H)	H(CCN)	N(CCH)(O)2	118.4647	0.296	4	118.4647	0.087	4	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]S)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]S)(NOO)(H)	H(CCN)	N(CCH)(O)2	114.8230	0.000	1	114.8230	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CHN)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CHN)(NOO)(H)	H(CCN)	N(CCH)(O)2	116.5440	0.000	1	116.5440	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CNN)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CNN)(NOO)(H)	H(CCN)	N(CCH)(O)2	117.8880	0.206	2	117.8880	0.043	2	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CNO)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CNO)(NOO)(H)	H(CCN)	N(CCH)(O)2	112.4880	0.000	1	112.4880	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CNS)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CNS)(NOO)(H)	H(CCN)	N(CCH)(O)2	118.0770	0.000	1	118.0770	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CSS)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CSS)(NOO)(H)	H(CCN)	N(CCH)(O)2	118.8490	0.000	1	118.8490	0.000	1	117.7383	9.675	53	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[4]-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(C[4]S[4]2)(NOO)(H)	H(CC[4]N)	N(CC[4]H)(O)2	C(C[4]S[4]2)(NOO)(H)	H(CC[4]N)	N(CC[4]H)(O)2	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[4a]-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(C[4a]N[4a]S[4a])(NOO)(H)	H(CC[4a]N)	N(CC[4a]H)(O)2	C(C[4a]N[4a]S[4a])(NOO)(H)	H(CC[4a]N)	N(CC[4a]H)(O)2	120.2970	0.186	3	120.2970	0.035	3	120.2970	0.035	3	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(C[5]N[5]2)(NOO)(H)	H(CC[5]N)	N(CC[5]H)(O)2	C(C[5]N[5]2)(NOO)(H)	H(CC[5]N)	N(CC[5]H)(O)2	118.1743	1.092	4	118.1743	1.193	4	118.7826	1.440	7	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(C[5]N[5]S[5])(NOO)(H)	H(CC[5]N)	N(CC[5]H)(O)2	C(C[5]N[5]S[5])(NOO)(H)	H(CC[5]N)	N(CC[5]H)(O)2	119.0240	0.000	1	119.0240	0.000	1	118.7826	1.440	7	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(C[5]S[5]2)(NOO)(H)	H(CC[5]N)	N(CC[5]H)(O)2	C(C[5]S[5]2)(NOO)(H)	H(CC[5]N)	N(CC[5]H)(O)2	119.8785	1.057	2	119.8785	1.118	2	118.7826	1.440	7	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]2)(NHH)(H)	H(CC[6]N)	N(CC[6]H)(H)2	C(C[6]C[6]2)(NHH)(H)	H(CC[6]N)	N(CC[6]H)(H)2	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(C[6]C[6,6a]O[6])(NOO)(H)	H(CC[6]N)	N(CC[6]H)(O)2	C(C[6]C[6,6a]O[6])(NOO)(H)	H(CC[6]N)	N(CC[6]H)(O)2	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	N-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(H)	H(CNN)	N(CHN)(H)2	C(NCH)(NHH)(H)	H(CNN)	N(CHN)(H)2	117.5239	0.129	7	117.5239	0.017	7	117.9194	10.889	72	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	N-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(NHH)2(H)	H(CNN)	N(CHN)(H)2	C(NHH)2(H)	H(CNN)	N(CHN)(H)2	117.9620	3.473	65	117.9620	12.060	65	117.9194	10.889	72	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:1:1:	N-3:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(NOO)2(H)	H(CNN)	N(CHN)(O)2	C(NOO)2(H)	H(CNN)	N(CHN)(O)2	117.7217	0.642	10	117.7217	0.413	10	117.7217	0.413	10	117.8702	8.746	154	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:2:1:	C-3:N-3:H-1:	C-3:	C-3:N-2:H-1:	C(CCH)(NHN)(H)	H(CCN)	N(CCH)(NH)(H)	C(CCH)(NHN)(H)	H(CCN)	N(CCH)(NH)(H)	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	117.9698	21.484	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:2:1:	C-3:N-3:H-1:	C-3:	C-3:O-2:O-1:	C(CC[6a]H)(NOO)(H)	H(CCN)	N(CCH)(ORh)(O)	C(CC[6a]H)(NOO)(H)	H(CCN)	N(CCH)(ORh)(O)	120.7840	0.000	1	120.7840	0.000	1	116.3065	40.096	2	117.9698	21.484	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:2:1:	C-3:N-3:H-1:	C-3:	C-3:O-2:O-1:	C(CC[6a]O)(NOO)(H)	H(CCN)	N(CCH)(OMn)(O)	C(CC[6a]O)(NOO)(H)	H(CCN)	N(CCH)(OMn)(O)	111.8290	0.000	1	111.8290	0.000	1	116.3065	40.096	2	117.9698	21.484	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:H-1:	C-3:	C-3:O-2:H-1:	C(C[5a]C[5a,6a]C[5a])(NHO)(H)	H(CC[5a]N)	N(CC[5a]H)(OH)(H)	C(C[5a]C[5a,6a]C[5a])(NHO)(H)	H(CC[5a]N)	N(CC[5a]H)(OH)(H)	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	117.9698	21.484	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(H)	H(CC[6a]N)	N(CC[6a]H)(OH)(H)	C(C[6a]C[6a]2)(NHO)(H)	H(CC[6a]N)	N(CC[6a]H)(OH)(H)	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	117.9698	21.484	5	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:2:2:	C-3:N-3:H-1:	C-3:	C-3:O-2:O-2:	C(CC[6a]H)(NOO)(H)	H(CCN)	N(CCH)(OSi)2	C(CC[6a]H)(NOO)(H)	H(CCN)	N(CCH)(OSi)2	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(CCO)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(CCO)(H)	117.1155	0.046	2	117.1155	0.002	2	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(CNO)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(CNO)(H)	117.6600	0.419	2	117.6600	0.175	2	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(CNS)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(CNS)(H)	117.6650	0.000	1	117.6650	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(COO)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CCH)(COO)(H)	117.2340	0.153	3	117.2340	0.023	3	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CC[3x6]O)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CC[3x6]O)(CCH)(H)	116.7430	0.000	1	116.7430	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	117.3510	0.000	1	117.3510	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CCH)(CCO)(H)	116.3647	1.806	10	116.3647	3.261	10	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CCH)(CNO)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CCH)(CNO)(H)	117.5450	0.000	1	117.5450	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CC[6]O)(CCH)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CC[6]O)(CCH)(H)	117.0230	0.000	1	117.0230	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	118.1500	0.000	1	118.1500	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CCO)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CCO)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	118.2720	0.000	1	118.2720	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CC[5a]C)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CC[5a]C)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	117.7620	0.000	1	117.7620	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CC[5a]H)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CC[5a]H)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	112.0660	0.000	1	112.0660	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(H)	H(CCN)	N(CCH)(CCO)(H)	C(CC[6a]H)(NCH)(H)	H(CCN)	N(CCH)(CCO)(H)	119.7140	0.939	4	119.7140	0.882	4	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(H)	H(CCN)	N(CCH)(CHO)(H)	C(CC[6a]H)(NCH)(H)	H(CCN)	N(CCH)(CHO)(H)	118.7410	0.000	1	118.7410	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]P)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CC[6a]P)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	117.5895	1.083	2	117.5895	1.172	2	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CClC)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	C(CClC)(NCH)(H)	H(CCN)	N(CC[6a]O)(CCH)(H)	117.6490	0.000	1	117.6490	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CHN)(NCH)(H)	H(CCN)	N(CCH)(CNO)(H)	C(CHN)(NCH)(H)	H(CCN)	N(CCH)(CNO)(H)	117.1180	0.000	1	117.1180	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CII)(NCH)(H)	H(CCN)	N(CC[6]O)(CCH)(H)	C(CII)(NCH)(H)	H(CCN)	N(CC[6]O)(CCH)(H)	117.7300	0.000	1	117.7300	0.000	1	117.2986	2.807	36	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C-3:N-3:H-1:	C(CCS)(NHN)(H)	H(CCN)	N(CCH)(NCC)(H)	C(CCS)(NHN)(H)	H(CCN)	N(CCH)(NCC)(H)	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(H)	H(CCN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	H(CCN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	116.6320	0.601	2	116.6320	0.361	2	116.8893	0.553	10	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	116.9536	0.797	8	116.9536	0.635	8	116.8893	0.553	10	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(NC[6a]O)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(NC[6a]O)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(O)	115.3600	0.000	1	115.3600	0.000	1	115.3600	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5,6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(CC[5,6]N)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(CC[5,6]N)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(NCH)(H)	H(CC[5]N)	N(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(NCH)(H)	H(CC[5]N)	N(CC[6a]O)(CC[5]H)(H)	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(NC[6a]H)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(H)	117.5268	1.129	6	117.5268	1.274	6	117.4890	2.842	12	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(H)	H(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C(C[5]C[5]2)(NC[6a]H)(H)	H(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	119.5555	0.009	2	119.5555	0.000	2	117.4890	2.842	12	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5])(NC[6a]H)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(NC[6a]H)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(H)	116.3990	1.966	4	116.3990	3.865	4	117.4890	2.842	12	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]H)(H)	116.6040	0.000	1	116.6040	0.000	1	116.5938	0.202	9	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(CC[5a]N)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(CC[5a]N)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	116.8280	0.635	3	116.8280	0.403	3	116.5938	0.202	9	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]H)(H)	116.4512	0.368	5	116.4512	0.136	5	116.5938	0.202	9	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:O-1:	C(C[5a]C[5a]2)(NC[6a]O)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]H)(O)	C(C[5a]C[5a]2)(NC[6a]O)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]H)(O)	114.1160	0.000	2	114.1160	0.000	2	114.1160	0.000	2	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C-3:N-3:H-1:	C(C[6]C[6]2)(NHN)(H)	H(CC[6]N)	N(CC[6]H)(NCP)(H)	C(C[6]C[6]2)(NHN)(H)	H(CC[6]N)	N(CC[6]H)(NCP)(H)	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C-3:S-3:H-1:	C(C[6]C[6]2)(NHS)(H)	H(CC[6]N)	N(CC[6]H)(SCO)(H)	C(C[6]C[6]2)(NHS)(H)	H(CC[6]N)	N(CC[6]H)(SCO)(H)	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[5a]H)(H)	H(CC[6]N)	N(C[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NC[5a]H)(H)	H(CC[6]N)	N(C[5a]C[5a]2)(CC[6]H)(H)	118.9360	0.000	1	118.9360	0.000	1	117.0876	1.176	9	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[5a]H)(H)	H(CC[6]N)	N(C[5a]N[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[5a]H)(H)	H(CC[6]N)	N(C[5a]N[5a]S[5a])(CC[6]H)(H)	116.8565	0.892	8	116.8565	0.795	8	117.0876	1.176	9	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	116.4853	0.688	3	116.4853	0.473	3	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(CC[6]H)(H)	117.9985	0.980	37	117.9985	0.961	37	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	117.2805	2.046	4	117.2805	4.188	4	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	112.8690	0.464	2	112.8690	0.215	2	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	118.3782	0.580	9	118.3782	0.336	9	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(CC[6]H)(H)	118.2289	1.119	99	118.2289	1.253	99	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	116.9330	0.477	2	116.9330	0.227	2	118.0397	1.575	156	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6]C[6]2)(NN[5a]H)(H)	H(CC[6]N)	N(N[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NN[5a]H)(H)	H(CC[6]N)	N(N[5a]C[5a]2)(CC[6]H)(H)	116.8120	0.000	1	116.8120	0.000	1	116.8420	0.002	2	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:H-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6]C[6]2)(NN[5a]H)(H)	H(CC[6]N)	N(N[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2)(NN[5a]H)(H)	H(CC[6]N)	N(N[5a]C[5a]N[5a])(CC[6]H)(H)	116.8720	0.000	1	116.8720	0.000	1	116.8420	0.002	2	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CCC)(O)	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CCC)(O)	115.5805	1.436	2	115.5805	2.062	2	115.5805	2.062	2	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(H)	H(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)	H(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]H)(H)	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(H)	117.1240	0.000	1	117.1240	0.000	1	117.4869	0.768	46	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(H)	117.4950	0.884	45	117.4950	0.782	45	117.4869	0.768	46	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a]O)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(O)	115.3365	1.765	12	115.3365	3.117	12	115.3365	3.117	12	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCN)(H)	H(CCN)	N(C[6]N[6]2)(CCH)(H)	C(NC[6]H)(CCN)(H)	H(CCN)	N(C[6]N[6]2)(CCH)(H)	116.1490	0.000	1	116.1490	0.000	1	118.4075	10.202	2	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CPdN)(H)	H(CCN)	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CPdN)(H)	H(CCN)	N(C[6]C[6]N[6])(CCH)(H)	120.6660	0.000	1	120.6660	0.000	1	118.4075	10.202	2	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	H(CCN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(CCN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	115.9583	1.537	3	115.9583	2.361	3	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	116.9799	1.006	38	116.9799	1.012	38	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	H(CCN)	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(CCN)	N(C[6a]C[6a]N[6a])(CCH)(H)	117.4170	0.000	1	117.4170	0.000	1	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	117.7000	1.508	4	117.7000	2.274	4	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	119.4790	0.713	3	119.4790	0.508	3	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(H)	H(CCN)	N(C[6a]N[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	H(CCN)	N(C[6a]N[6a]2)(CCH)(H)	118.8940	0.687	2	118.8940	0.472	2	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	117.1083	1.447	6	117.1083	2.093	6	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]H)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]H)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	118.8630	0.000	1	118.8630	0.000	1	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	120.0223	1.780	3	120.0223	3.168	3	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(H)	H(CCN)	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	N(C[6a]C[6a]N[6a])(CCH)(H)	116.0730	0.344	5	116.0730	0.119	5	117.2651	1.990	66	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]O)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(O)	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Cu)(NC[6a]H)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Cu)(NC[6a]H)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	117.4730	0.000	1	117.4730	0.000	1	117.3441	3.342	15	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NCC)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	112.9550	0.000	1	112.9550	0.000	1	117.3441	3.342	15	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NCH)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	116.4900	0.000	1	116.4900	0.000	1	117.3441	3.342	15	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)2(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	117.6731	1.622	10	117.6731	2.632	10	117.3441	3.342	15	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Pt)(NC[6a]H)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Pt)(NC[6a]H)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	118.6690	0.000	1	118.6690	0.000	1	117.3441	3.342	15	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:1:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Ru)(NC[6a]H)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Ru)(NC[6a]H)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(H)	117.8430	0.000	1	117.8430	0.000	1	117.3441	3.342	15	117.4912	2.190	387	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:2:	C-3:N-3:H-1:	C-3:	C-3:C-3:O-2:	C(CHI)(NCO)(H)	H(CCN)	N(CC[6a]O)(CCH)(OC)	C(CHI)(NCO)(H)	H(CCN)	N(CC[6a]O)(CCH)(OC)	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	114.8475	44.604	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:2:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:S-2:	C(NC[6a]Cu)(NC[6a]S)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(SCu)	C(NC[6a]Cu)(NC[6a]S)(H)	H(CNN)	N(C[6a]C[6a]2)(CHN)(SCu)	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	114.8475	44.604	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	C-3:	C[6a]-3:B-3:C-3:	C(CC[6a]N)(NC[6a]B)(H)	H(CCN)	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	C(CC[6a]N)(NC[6a]B)(H)	H(CCN)	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]Ge)(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]Ge)(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(COO)	116.8320	0.000	1	116.8320	0.000	1	116.8637	0.074	4	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)2	C(CC[6a]H)(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)2	117.0055	0.343	2	117.0055	0.118	2	116.8637	0.074	4	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C(CC[6a]H)(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	116.6120	0.000	1	116.6120	0.000	1	116.8637	0.074	4	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	C[5a]-3:N-3:H-1:	C-3:	C[6a]-3:B-3:C-3:	C(C[5a]C[5a,6a]N[5a])(NC[6a]B)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	C(C[5a]C[5a,6a]N[5a])(NC[6a]B)(H)	H(CC[5a]N)	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	H(CC[6]N)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	H(CC[6]N)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]H)	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:As-3:C-3:	C(NC[6a]As)(CC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(AsAsN)(CCH)	C(NC[6a]As)(CC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(AsAsN)(CCH)	114.4665	0.117	2	114.4665	0.014	2	114.4665	0.014	2	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(CCO)	C(NC[6a]C)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(CCO)	115.0770	0.000	1	115.0770	0.000	1	114.8630	0.092	2	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CC[5]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(COO)	C(NC[6a]C)(CC[5]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(COO)	114.6490	0.000	1	114.6490	0.000	1	114.8630	0.092	2	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]Pd)(NC[6a]C)(H)	H(CNN)	N(C[6a]C[6a]2)(CCN)(CHN)	C(NC[6a]Pd)(NC[6a]C)(H)	H(CNN)	N(C[6a]C[6a]2)(CCN)(CHN)	116.0892	0.407	6	116.0892	0.166	6	116.0892	0.166	6	115.7596	0.824	17	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:4:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]2)(NC[6a]C)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(CH3)	C(C[5]C[5]2)(NC[6a]C)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(CH3)	113.9930	0.000	1	113.9930	0.000	1	113.9930	0.000	1	114.6937	0.802	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:4:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:Si-4:	C(C[5]C[5]2)(NC[6a]Si)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	C(C[5]C[5]2)(NC[6a]Si)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	114.6937	0.802	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:3:4:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:Si-4:	C(C[6]C[6]2)(NC[6a]Si)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	C(C[6]C[6]2)(NC[6a]Si)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	115.7030	0.000	1	115.7030	0.000	1	115.7030	0.000	1	114.6937	0.802	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2)(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CC3)(H)	C(C[5]C[5]2)(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CC3)(H)	117.1730	0.000	1	117.1730	0.000	1	117.9878	0.353	12	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2)(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CCHH)(H)	C(C[5]C[5]2)(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CCHH)(H)	118.1635	0.351	6	118.1635	0.123	6	117.9878	0.353	12	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5])(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CC3)(H)	C(C[5]C[5]N[5])(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CC3)(H)	117.9330	0.000	1	117.9330	0.000	1	117.9878	0.353	12	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5])(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5])(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CCHH)(H)	117.6650	0.863	3	117.6650	0.744	3	117.9878	0.353	12	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]S[5])(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CC3)(H)	C(C[5]C[5]S[5])(NCH)(H)	H(CC[5]N)	N(CC[5]H)(CC3)(H)	118.7720	0.000	1	118.7720	0.000	1	117.9878	0.353	12	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(H)	H(CC[5a]N)	N(CC[5a]H)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(CC[5a]N)	N(CC[5a]H)(CC3)(H)	116.8675	0.152	2	116.8675	0.023	2	116.6067	0.191	7	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(H)	H(CC[5a]N)	N(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(CC[5a]N)	N(CC[5a]H)(CCHH)(H)	116.5024	0.482	5	116.5024	0.233	5	116.6067	0.191	7	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:H-1:	C-3:	C-3:C-4:O-1:	C(C[5a]N[5a]S[5a])(NCO)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)(O)	C(C[5a]N[5a]S[5a])(NCO)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)(O)	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CC3)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CC3)(H)	117.6105	0.313	2	117.6105	0.098	2	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCCH)(H)	117.8443	0.283	3	117.8443	0.080	3	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCHH)(H)	117.3782	1.007	12	117.3782	1.014	12	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CC3)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CC3)(H)	118.3798	0.962	18	118.3798	0.925	18	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCCH)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCCH)(H)	118.0808	0.810	13	118.0808	0.656	13	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCHH)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CCHH)(H)	117.7625	1.114	31	117.7625	1.240	31	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CH3)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]H)(CH3)(H)	116.4297	2.147	3	116.4297	4.610	3	117.8427	1.188	82	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]H)(CCCH)(H)	116.9770	0.547	2	116.9770	0.300	2	117.3039	0.670	18	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]H)(CCHH)(H)	117.2308	0.743	15	117.2308	0.553	15	117.3039	0.670	18	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]H)(CH3)(H)	119.0540	0.000	1	119.0540	0.000	1	117.3039	0.670	18	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:O-1:	C(C[6a]C[6,6a]C[6a])(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6,6a]C[6a])(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(O)	127.8580	0.000	1	127.8580	0.000	1	117.2011	8.815	15	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(O)	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(O)	116.4544	0.390	12	116.4544	0.152	12	117.2011	8.815	15	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CCCP)(O)	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CCCP)(O)	116.4780	0.000	1	116.4780	0.000	1	117.2011	8.815	15	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CCHH)(O)	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CCHH)(O)	116.2270	0.000	1	116.2270	0.000	1	117.2011	8.815	15	117.6510	1.892	135	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:2:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:O-2:	C(C[6]C[6]2)(NCO)(H)	H(CC[6]N)	N(CC[6]H)(CH3)(OC)	C(C[6]C[6]2)(NCO)(H)	H(CC[6]N)	N(CC[6]H)(CH3)(OC)	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	116.5047	1.031	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(ONi)	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(ONi)	117.2310	0.204	3	117.2310	0.042	3	116.8175	0.172	8	116.5047	1.031	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(OPd)	C(C[6a]C[6a]2)(NCO)(H)	H(CC[6a]N)	N(CC[6a]H)(CC3)(OPd)	116.5694	0.273	5	116.5694	0.074	5	116.8175	0.172	8	116.5047	1.031	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C-3:C-4:C-3:	C(CBrC)(NCC)(H)	H(CCN)	N(CC[6]O)(CCHH)(CCH)	C(CBrC)(NCC)(H)	H(CCN)	N(CC[6]O)(CCHH)(CCH)	119.2390	0.000	1	119.2390	0.000	1	116.7137	1.834	6	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C-3:C-4:C-3:	C(CCC)(NCC)(H)	H(CCN)	N(CC[6a]C)(CCHH)(CCH)	C(CCC)(NCC)(H)	H(CCN)	N(CC[6a]C)(CCHH)(CCH)	116.1970	0.000	1	116.1970	0.000	1	116.7137	1.834	6	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C-3:C-4:C-3:	C(CC[6a]2)(NCC)(H)	H(CCN)	N(CC[6a]O)(CCCH)(CCH)	C(CC[6a]2)(NCC)(H)	H(CCN)	N(CC[6a]O)(CCCH)(CCH)	116.1040	0.000	1	116.1040	0.000	1	116.7137	1.834	6	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C-3:C-4:C-3:	C(CC[6a]C)(NCC)(H)	H(CCN)	N(CC[6a]S)(CCCH)(CCH)	C(CC[6a]C)(NCC)(H)	H(CCN)	N(CC[6a]S)(CCCH)(CCH)	115.9230	0.932	2	115.9230	0.869	2	116.7137	1.834	6	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C-3:C-4:C-3:	C(CC[6a]C)(NCC)(H)	H(CCN)	N(CC[6a]S)(CH3)(CCH)	C(CC[6a]C)(NCC)(H)	H(CCN)	N(CC[6a]S)(CH3)(CCH)	116.8960	0.000	1	116.8960	0.000	1	116.7137	1.834	6	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(CB[5a]C[6a])(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCCH)(CCH)	C(CB[5a]C[6a])(NC[6a]C)(H)	H(CCN)	N(C[6a]C[6a]2)(CCCH)(CCH)	114.2310	0.279	2	114.2310	0.078	2	114.2310	0.078	2	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(C[5]C[5]2)(NC[6a]S)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	C(C[5]C[5]2)(NC[6a]S)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	115.3440	0.000	1	115.3440	0.000	1	115.4580	0.389	5	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C[5]-3:N-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(C[5]C[5]2)(NC[6a]S)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C(C[5]C[5]2)(NC[6a]S)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	115.4865	0.716	4	115.4865	0.513	4	115.4580	0.389	5	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(C[6]C[6]2)(NC[6a]S)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NC[6a]S)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	118.4930	0.000	1	118.4930	0.000	1	118.4930	0.000	1	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:H-1:	C-3:	C[6a]-3:B-4:C-3:	C(C[6a]C[6a]2)(NC[6a]B)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6a]B)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	113.9690	0.000	1	113.9690	0.000	1	113.9690	0.000	1	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(H)	H(CCN)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C(NC[6a]C)(CCC)(H)	H(CCN)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	114.1180	0.000	1	114.1180	0.000	1	117.2668	20.484	11	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(CH3)(CCH)	116.4633	0.803	4	116.4633	0.645	4	117.2668	20.484	11	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCO)(H)	H(CCN)	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(CCO)(H)	H(CCN)	N(C[6a]C[6a]2)(CH3)(CCH)	114.5880	0.000	1	114.5880	0.000	1	117.2668	20.484	11	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CHH)(H)	H(CCN)	N(C[6a]C[6a]2)(CCHH)(CCH)	130.6280	0.000	1	130.6280	0.000	1	117.2668	20.484	11	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(CAlHH)(CCH)	C(NC[6a]C)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(CAlHH)(CCH)	116.1640	0.141	3	116.1640	0.020	3	117.2668	20.484	11	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(CBeCH)(CCH)	C(NC[6a]C)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(CBeCH)(CCH)	116.2560	0.000	1	116.2560	0.000	1	117.2668	20.484	11	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:Cl-4:C-3:	C(NC[6a]Cl)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C(NC[6a]Cl)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	117.4640	0.000	1	117.4640	0.000	1	117.4640	0.000	1	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C(NC[6a]Ga)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	118.0070	0.000	1	118.0070	0.000	1	117.7973	0.043	4	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(GaCl3)(CCH)	C(NC[6a]Ga)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(GaCl3)(CCH)	117.6465	0.180	2	117.6465	0.033	2	117.7973	0.043	4	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(GaClCC)(CCH)	C(NC[6a]Ga)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(GaClCC)(CCH)	117.8890	0.000	1	117.8890	0.000	1	117.7973	0.043	4	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CBrC)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CBrC)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	112.9860	0.000	1	112.9860	0.000	1	114.9270	7.535	2	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCH)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	116.8680	0.000	1	116.8680	0.000	1	114.9270	7.535	2	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:Si-4:C-3:	C(NC[6a]Si)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(SiCl3)(CCH)	C(NC[6a]Si)(CHN)(H)	H(CCN)	N(C[6a]C[6a]2)(SiCl3)(CCH)	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]2)(CCCH)(CHN)	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]2)(CCCH)(CHN)	116.5790	0.113	2	116.5790	0.013	2	116.2803	0.827	19	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]2)(CCHH)(CHN)	116.6167	0.895	11	116.6167	0.802	11	116.2803	0.827	19	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]2)(CH3)(CHN)	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]2)(CH3)(CHN)	115.1418	0.178	4	115.1418	0.032	4	116.2803	0.827	19	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C(NC[6a]C)2(H)	H(CNN)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	116.6610	0.000	1	116.6610	0.000	1	116.2803	0.827	19	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]Pd)(NC[6a]C)(H)	H(CNN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]Pd)(NC[6a]C)(H)	H(CNN)	N(C[6a]C[6a]2)(CCHH)(CHN)	116.1560	0.000	1	116.1560	0.000	1	116.2803	0.827	19	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:P-4:C-3:	C(NC[6a]Ir)(NC[6a]P)(H)	H(CNN)	N(C[6a]C[6a]2)(PC[6a]2Ir)(CHN)	C(NC[6a]Ir)(NC[6a]P)(H)	H(CNN)	N(C[6a]C[6a]2)(PC[6a]2Ir)(CHN)	118.9500	0.000	1	118.9500	0.000	1	117.2905	5.508	2	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:N-3:H-1:	C-3:	C[6a]-3:P-4:C-3:	C(NC[6a]Pd)(NC[6a]P)(H)	H(CNN)	N(C[6a]C[6a]2)(PC[6a]2Pd)(CHN)	C(NC[6a]Pd)(NC[6a]P)(H)	H(CNN)	N(C[6a]C[6a]2)(PC[6a]2Pd)(CHN)	115.6310	0.000	1	115.6310	0.000	1	117.2905	5.508	2	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:3:	N-3:S-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(SFe2)(H)	H(CNS)	N(C[6a]C[6a]2)(CHHS)(CHS)	C(NC[6a]C)(SFe2)(H)	H(CNS)	N(C[6a]C[6a]2)(CHHS)(CHS)	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	116.6106	5.773	56	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5,6a]C[5])(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	C(C[5]C[5,6a]C[5])(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	113.9675	0.488	4	113.9675	0.239	4	114.4749	0.419	14	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5,6a]N[5])(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	C(C[5]C[5,6a]N[5])(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	114.4630	0.238	2	114.4630	0.056	2	114.4749	0.419	14	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]2)(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	C(C[5]C[5]2)(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	114.5938	0.764	5	114.5938	0.584	5	114.4749	0.419	14	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]N[5])(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	C(C[5]C[5]N[5])(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	114.9610	0.511	3	114.9610	0.262	3	114.4749	0.419	14	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a,6a]C[5a])(NCC)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)2	C(C[5a]C[5a,6a]C[5a])(NCC)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)2	113.3560	0.000	1	113.3560	0.000	1	114.2567	0.483	6	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a,6a]N[5a,6])(NCC)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)2	C(C[5a]C[5a,6a]N[5a,6])(NCC)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)2	114.8693	0.126	3	114.8693	0.016	3	114.2567	0.483	6	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]S[5a])(NCC)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)2	C(C[5a]C[5a]S[5a])(NCC)(H)	H(CC[5a]N)	N(CC[5a]H)(CH3)2	113.7880	0.095	2	113.7880	0.009	2	114.2567	0.483	6	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[6]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]2)(NCC)(H)	H(CC[6]N)	N(CC[6]H)(CH3)2	C(C[6]C[6]2)(NCC)(H)	H(CC[6]N)	N(CC[6]H)(CH3)2	114.3136	0.953	5	114.3136	0.907	5	114.3136	0.907	5	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]H)(CH3)2	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]H)(CH3)2	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	3:4:4:	N[6]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(H)	H(CN[6]N)	N(CN[6]H)(CCCH)2	C(N[6]C[6]2)(NCC)(H)	H(CN[6]N)	N(CN[6]H)(CCCH)2	114.5000	0.000	1	114.5000	0.000	1	114.5000	0.000	1	114.3805	0.457	27	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CC3)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CC3)(CCH)(H)	116.6240	0.066	2	116.6240	0.004	2	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CCCH)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CCCH)(CCH)(H)	116.6500	0.000	1	116.6500	0.000	1	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	116.3496	0.573	10	116.3496	0.328	10	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CC[6a]HH)(CCH)(H)	116.6384	0.453	5	116.6384	0.205	5	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	H(CCN)	N(CH3)(CCH)(H)	C(CCC)(NCH)(H)	H(CCN)	N(CH3)(CCH)(H)	116.6275	0.036	2	116.6275	0.001	2	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	117.3265	0.640	2	117.3265	0.410	2	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CC[6]HH)(CCH)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CC[6]HH)(CCH)(H)	118.2070	0.000	1	118.2070	0.000	1	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	H(CCN)	N(CC[6a]HH)(CCH)(H)	C(CCH)(NCH)(H)	H(CCN)	N(CC[6a]HH)(CCH)(H)	116.8320	0.232	2	116.8320	0.054	2	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]C)(NCH)(H)	H(CCN)	N(CCCH)(CCH)(H)	C(CC[5a]C)(NCH)(H)	H(CCN)	N(CCCH)(CCH)(H)	114.7585	0.299	2	114.7585	0.089	2	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CC[6]N)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	C(CC[6]N)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	115.2100	0.000	1	115.2100	0.000	1	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	116.3710	0.059	2	116.3710	0.004	2	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(H)	H(CCN)	N(CC[6a]HH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	H(CCN)	N(CC[6a]HH)(CCH)(H)	116.4633	0.097	4	116.4633	0.009	4	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	C(CC[6a]N)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	115.7570	0.000	1	115.7570	0.000	1	116.4413	0.514	35	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CHN)(NCO)(H)	H(CCN)	N(CCHH)(CCH)(O)	C(CHN)(NCO)(H)	H(CCN)	N(CCHH)(CCH)(O)	119.3930	0.116	2	119.3930	0.013	2	119.0980	0.268	3	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(COO)(NCO)(H)	H(CCN)	N(CC[6a]CH)(CCH)(O)	C(COO)(NCO)(H)	H(CCN)	N(CC[6a]CH)(CCH)(O)	118.5080	0.000	1	118.5080	0.000	1	119.0980	0.268	3	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6]C)(NC[6]H)(H)	H(CCN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]C)(NC[6]H)(H)	H(CCN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	115.8660	0.000	1	115.8660	0.000	1	116.2970	0.372	2	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]C)(NC[6]H)(H)	H(CCN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6a]C)(NC[6]H)(H)	H(CCN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	116.7280	0.000	1	116.7280	0.000	1	116.2970	0.372	2	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CCC)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	C(CCC)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	118.8720	0.000	1	118.8720	0.000	1	117.9724	0.822	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]2)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	117.9810	0.000	1	117.9810	0.000	1	117.9724	0.822	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]2)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	116.7705	0.241	2	116.7705	0.058	2	117.9724	0.822	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]C)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	117.9350	0.000	1	117.9350	0.000	1	117.9724	0.822	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]N)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	118.7530	0.000	1	118.7530	0.000	1	117.9724	0.822	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]N[5a])(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	118.7250	0.000	1	118.7250	0.000	1	117.9724	0.822	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2)(NCH)(H)	H(CC[5]N)	N(CC[6a]HH)(CC[5]H)(H)	C(C[5]C[5]2)(NCH)(H)	H(CC[5]N)	N(CC[6a]HH)(CC[5]H)(H)	117.1070	0.000	1	117.1070	0.000	1	117.1070	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(C[5]C[5,6a]2)(NHS)(H)	H(CC[5]N)	N(SC[6a]OO)(CC[5]H)(H)	C(C[5]C[5,6a]2)(NHS)(H)	H(CC[5]N)	N(SC[6a]OO)(CC[5]H)(H)	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(H)	H(CC[5a]N)	N(CC[6a]3)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(CC[5a]N)	N(CC[6a]3)(CC[5a]H)(H)	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:H-1:	C-3:	C[3]-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[3]H)(H)	H(CC[5a]N)	N(C[3]C[3]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[3]H)(H)	H(CC[5a]N)	N(C[3]C[3]2H)(CC[5a]H)(H)	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6]H)(H)	H(CC[5a]N)	N(C[6]C[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(H)	H(CC[5a]N)	N(C[6]C[6]2H)(CC[5a]H)(H)	116.3748	0.582	11	116.3748	0.339	11	116.3748	0.339	11	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	B-4:C-3:H-1:	C(C[6]C[6]2)(NBH)(H)	H(CC[6]N)	N(BC[6a]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NBH)(H)	H(CC[6]N)	N(BC[6a]2H)(CC[6]H)(H)	116.4660	0.000	1	116.4660	0.000	1	115.9845	0.464	2	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	B-4:C-3:H-1:	C(C[6]P[6]2)(NBH)(H)	H(CC[6]N)	N(BC[6a]2H)(CC[6]H)(H)	C(C[6]P[6]2)(NBH)(H)	H(CC[6]N)	N(BC[6a]2H)(CC[6]H)(H)	115.5030	0.000	1	115.5030	0.000	1	115.9845	0.464	2	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[5a]HH)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[5a]HH)(CC[6]H)(H)	117.5760	0.000	2	117.5760	0.000	2	117.0703	2.167	20	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6a]CH)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(CC[6]N)	N(CC[6a]CH)(CC[6]H)(H)	117.3720	0.000	1	117.3720	0.000	1	117.0703	2.167	20	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]HH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6]HH)(CC[6]H)(H)	116.9095	1.101	4	116.9095	1.213	4	117.0703	2.167	20	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6a]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6a]2H)(CC[6]H)(H)	118.1995	0.322	2	118.1995	0.104	2	117.0703	2.167	20	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6a]CH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6a]CH)(CC[6]H)(H)	118.4310	0.000	1	118.4310	0.000	1	117.0703	2.167	20	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(CC[6]N)	N(CC[6a]HH)(CC[6]H)(H)	116.6414	1.841	10	116.6414	3.388	10	117.0703	2.167	20	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[6]C[6]2)(NC[3x6]H)(H)	H(CC[6]N)	N(C[3x6]C[6,6]3)(CC[6]H)(H)	C(C[6]C[6]2)(NC[3x6]H)(H)	H(CC[6]N)	N(C[3x6]C[6,6]3)(CC[6]H)(H)	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C[5,6]-4:C-3:H-1:	C(C[6]C[6]2)(NC[5,6]H)(H)	H(CC[6]N)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6]H)(H)	C(C[6]C[6]2)(NC[5,6]H)(H)	H(CC[6]N)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6]H)(H)	118.3730	0.270	2	118.3730	0.073	2	118.3730	0.073	2	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	H(CC[6]N)	N(C[6]C[6]2H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	H(CC[6]N)	N(C[6]C[6]2H)(CC[6]H)(H)	116.4685	2.231	2	116.4685	4.977	2	116.8278	3.212	4	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6]2)(NC[6]H)(H)	H(CC[6]N)	N(C[6]C[6]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NC[6]H)(H)	H(CC[6]N)	N(C[6]C[6]2H)(CC[6]H)(H)	117.1870	2.035	2	117.1870	4.141	2	116.8278	3.212	4	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[3x6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[3x6]CH)(CC[6a]H)(H)	117.7770	0.000	1	117.7770	0.000	1	116.7517	0.807	3	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]CC)(CC[6a]H)(H)	116.1020	0.000	1	116.1020	0.000	1	116.7517	0.807	3	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(CC[6a]N)	N(CC[6a]HH)(CC[6a]H)(H)	116.3760	0.000	1	116.3760	0.000	1	116.7517	0.807	3	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(H)	H(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(H)	H(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]H)(H)	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	H(CC[6a]N)	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	H(CC[6a]N)	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(H)	H(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)	H(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]H)(H)	118.1081	0.546	7	118.1081	0.298	7	118.1081	0.298	7	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	N-3:C-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(H)	H(CCN)	N(C[6]C[6]2H)(CCH)(H)	C(NC[6]H)(CCH)(H)	H(CCN)	N(C[6]C[6]2H)(CCH)(H)	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	N-3:N-3:H-1:	C-3:	B-4:C-3:H-1:	C(NBH)(NCC)(H)	H(CNN)	N(BN[5]3)(CHN)(H)	C(NBH)(NCC)(H)	H(CNN)	N(BN[5]3)(CHN)(H)	117.3220	0.293	2	117.3220	0.086	2	117.3220	0.086	2	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	N-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(NBC)(NCH)(H)	H(CNN)	N(CCCH)(CHN)(H)	C(NBC)(NCH)(H)	H(CNN)	N(CCCH)(CHN)(H)	116.6880	0.000	1	116.6880	0.000	1	117.5831	1.388	10	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	N-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(H)	H(CNN)	N(CCHH)(CHN)(H)	C(NCH)(NHH)(H)	H(CNN)	N(CCHH)(CHN)(H)	117.4690	0.179	7	117.4690	0.032	7	117.5831	1.388	10	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	N-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(H)	H(CNN)	N(CC[6a]CH)(CHN)(H)	C(NC[6a]H)(NCH)(H)	H(CNN)	N(CC[6a]CH)(CHN)(H)	120.6630	0.000	1	120.6630	0.000	1	117.5831	1.388	10	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:1:	N-3:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(NMnC)(NCH)(H)	H(CNN)	N(CC[6a]HH)(CHN)(H)	C(NMnC)(NCH)(H)	H(CNN)	N(CC[6a]HH)(CHN)(H)	116.1970	0.000	1	116.1970	0.000	1	117.5831	1.388	10	116.9695	1.526	116	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:2:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-2:	C(CHN)(NCC)(H)	H(CCN)	N(CH3)(CCH)(CH)	C(CHN)(NCC)(H)	H(CCN)	N(CH3)(CCH)(CH)	123.8020	0.000	1	123.8020	0.000	1	123.8020	0.000	1	123.8020	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CB[5,5]C[6a])(NCC)(H)	H(CCN)	N(CC[6a]HH)(CC[6a]O)(CCH)	C(CB[5,5]C[6a])(NCC)(H)	H(CCN)	N(CC[6a]HH)(CC[6a]O)(CCH)	117.0730	0.000	1	117.0730	0.000	1	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CCC)(NCC)(H)	H(CCN)	N(CCCH)(CCH)(CCO)	C(CCC)(NCC)(H)	H(CCN)	N(CCCH)(CCH)(CCO)	111.5110	0.000	1	111.5110	0.000	1	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CCCH)(CCH)(COO)	C(CCH)(NCC)(H)	H(CCN)	N(CCCH)(CCH)(COO)	117.3050	0.000	1	117.3050	0.000	1	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CCHH)(CCH)(CCO)	C(CCH)(NCC)(H)	H(CCN)	N(CCHH)(CCH)(CCO)	116.5230	0.000	1	116.5230	0.000	1	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CH3)(CCH)(CCO)	C(CCH)(NCC)(H)	H(CCN)	N(CH3)(CCH)(CCO)	115.2218	0.323	4	115.2218	0.105	4	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CC[6a]2)(NCC)(H)	H(CCN)	N(CCCH)(CCH)(CNO)	C(CC[6a]2)(NCC)(H)	H(CCN)	N(CCCH)(CCH)(CNO)	116.3842	0.308	6	116.3842	0.095	6	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CC[6a]H)(NCC)(H)	H(CCN)	N(CCHH)(CCH)(CCO)	C(CC[6a]H)(NCC)(H)	H(CCN)	N(CCHH)(CCH)(CCO)	116.6700	0.000	1	116.6700	0.000	1	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CC[6a]H)(NCC)(H)	H(CCN)	N(CH3)(CCH)(CCO)	C(CC[6a]H)(NCC)(H)	H(CCN)	N(CH3)(CCH)(CCO)	117.4537	0.927	3	117.4537	0.860	3	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CHN)(NCC)(H)	H(CCN)	N(CC[6a]HH)(CCH)(CHO)	C(CHN)(NCC)(H)	H(CCN)	N(CC[6a]HH)(CCH)(CHO)	116.4340	1.057	5	116.4340	1.118	5	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(CII)(NCC)(H)	H(CCN)	N(CCHH)(CCH)(CCO)	C(CII)(NCC)(H)	H(CCN)	N(CCHH)(CCH)(CCO)	116.1940	0.000	1	116.1940	0.000	1	116.2083	1.752	24	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C-3:N-3:H-1:	C-3:	C-4:C-3:N-3:	C(CCH)(NCN)(H)	H(CCN)	N(CC[6a]CH)(CCH)(NCH)	C(CCH)(NCN)(H)	H(CCN)	N(CC[6a]CH)(CCH)(NCH)	117.2775	0.380	2	117.2775	0.144	2	117.2775	0.144	2	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	C[5,6]-3:N-3:H-1:	C-3:	C-4:C-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(NCC)(H)	H(CC[5,6]N)	N(CC[6a]HH)(CC[5,6]H)(CCO)	C(C[5,6]C[5,5,6]C[5,6])(NCC)(H)	H(CC[5,6]N)	N(CC[6a]HH)(CC[5,6]H)(CCO)	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	C-3:	C[3x6]-4:C-3:C-3:	C(NC[3x6]C)(CHN)(H)	H(CCN)	N(C[3x6]C[6,6]3)(CCH)(CHO)	C(NC[3x6]C)(CHN)(H)	H(CCN)	N(C[3x6]C[6,6]3)(CCH)(CHO)	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:3:	N-3:C-3:H-1:	C-3:	C[5]-4:C-3:C-3:	C(NC[5]C)(CHN)(H)	H(CCN)	N(C[5]C[5]O[5]H)(CCH)(CNO)	C(NC[5]C)(CHN)(H)	H(CCN)	N(C[5]C[5]O[5]H)(CCH)(CNO)	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	116.2124	2.059	29	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:4:	C[4]-3:N-3:H-1:	C-3:	S-4:C-3:C-4:	C(C[4]C[4]2)(NCS)(H)	H(CC[4]N)	N(SC[6a]OO)(CC[4]H)(CCHH)	C(C[4]C[4]2)(NCS)(H)	H(CC[4]N)	N(SC[6a]OO)(CC[4]H)(CCHH)	118.5560	0.433	2	118.5560	0.187	2	118.5560	0.187	2	115.2915	18.540	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:4:	C[5]-3:N-3:H-1:	C-3:	S-4:C-3:C-4:	C(C[5]C[5]2)(NCS)(H)	H(CC[5]N)	N(SC[6a]OO)(CC[5]H)(CCCH)	C(C[5]C[5]2)(NCS)(H)	H(CC[5]N)	N(SC[6a]OO)(CC[5]H)(CCCH)	118.4070	0.000	1	118.4070	0.000	1	113.7190	43.955	2	115.2915	18.540	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:4:	C[5]-3:N-3:H-1:	C-3:	S-4:C-3:C-4:	C(C[5]C[5]2)(NCS)(H)	H(CC[5]N)	N(SC[6a]OO)(CC[5]H)(CCHH)	C(C[5]C[5]2)(NCS)(H)	H(CC[5]N)	N(SC[6a]OO)(CC[5]H)(CCHH)	109.0310	0.000	1	109.0310	0.000	1	113.7190	43.955	2	115.2915	18.540	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:H-1:	C-3:	B-4:C-3:C-4:	C(C[6a]C[6a]2)(NBC)(H)	H(CC[6a]N)	N(BC[6a]3)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NBC)(H)	H(CC[6a]N)	N(BC[6a]3)(CC[6a]H)(CCHH)	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	115.2915	18.540	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:H-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]HH)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]HH)(CC[6a]H)(CCHH)	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	115.2915	18.540	6	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	H(CCN)	N(CCHH)(CH3)(CCH)	C(CCC)(NCC)(H)	H(CCN)	N(CCHH)(CH3)(CCH)	114.5060	0.000	1	114.5060	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	114.5857	0.402	14	114.5857	0.162	14	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CCHH)(CH3)(CCH)	C(CCH)(NCC)(H)	H(CCN)	N(CCHH)(CH3)(CCH)	116.7480	0.000	1	116.7480	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CCH)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	116.1478	0.418	6	116.1478	0.175	6	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CFe2C)(CH3)(CCH)	C(CCH)(NCC)(H)	H(CCN)	N(CFe2C)(CH3)(CCH)	115.6370	0.000	1	115.6370	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CCH)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	116.1792	0.750	21	116.1792	0.563	21	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCN)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CCN)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	114.3618	0.647	4	114.3618	0.418	4	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCN)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CCN)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	117.1290	3.299	4	117.1290	10.886	4	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCO)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CCO)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	114.5390	0.000	1	114.5390	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCS)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CCS)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	112.5350	0.000	1	112.5350	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[4]Si)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	C(CC[4]Si)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	112.7140	0.000	1	112.7140	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[5]H)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	C(CC[5]H)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	115.6480	0.049	2	115.6480	0.002	2	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]C)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[5a]C)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	112.5513	1.684	3	112.5513	2.837	3	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]H)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CC[5a]H)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	115.8565	0.726	2	115.8565	0.527	2	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]H)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[5a]H)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	113.5938	2.151	4	113.5938	4.628	4	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]O)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[5a]O)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	114.1902	0.474	6	114.1902	0.225	6	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	C(CC[6]H)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	115.9450	0.000	2	115.9450	0.000	2	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CC[6]H)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	115.9163	1.046	3	115.9163	1.093	3	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[6]H)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	117.4820	0.000	1	117.4820	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[6a]C)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	113.8660	0.614	10	113.8660	0.377	10	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C[6])(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[6a]C[6])(NCC)(H)	H(CCN)	N(CH3)2(CCH)	113.1190	0.000	1	113.1190	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]H)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[6a]H)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	116.7446	0.603	5	116.7446	0.364	5	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CHS)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CHS)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	116.4785	0.200	2	116.4785	0.040	2	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CSS)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	C(CSS)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	113.0910	0.117	2	113.0910	0.014	2	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CSS)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CSS)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	108.2240	0.000	1	108.2240	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CSiB)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	C(CSiB)(NCC)(H)	H(CCN)	N(CCCH)2(CCH)	115.4600	0.000	1	115.4600	0.000	1	115.0912	2.850	100	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(CCH)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CCH)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	117.2230	0.000	1	117.2230	0.000	1	116.8212	1.871	6	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(CC[5a]C)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[5a]C)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	117.0290	0.000	1	117.0290	0.000	1	116.8212	1.871	6	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(CC[6a]C)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	117.7370	0.177	2	117.7370	0.031	2	116.8212	1.871	6	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(CN[5]O)(NCS)(H)	H(CCN)	N(CCHH)(SCOO)(CCH)	C(CN[5]O)(NCS)(H)	H(CCN)	N(CCHH)(SCOO)(CCH)	115.6005	2.112	2	115.6005	4.461	2	116.8212	1.871	6	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C[6]-4:S-4:C-3:	C(CC[6a]C)(NC[6]S)(H)	H(CCN)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C(CC[6a]C)(NC[6]S)(H)	H(CCN)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CCH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CC[4]HH)(CCH)	115.6750	0.000	1	115.6750	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CCH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CH3)(CCH)	C(CCH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CH3)(CCH)	117.1860	0.000	1	117.1860	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[3]H)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[3]H)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	115.9610	0.000	1	115.9610	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[5a]C)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	116.0930	0.000	1	116.0930	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[5a]C[6a])(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	117.9050	0.000	1	117.9050	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]C)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]C)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	116.1840	0.000	1	116.1840	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]O)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	116.4115	2.258	2	116.4115	5.098	2	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CHHO)(CCH)	C(CC[6a]O)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CHHO)(CCH)	116.8660	0.215	2	116.8660	0.046	2	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CHN)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	115.7950	0.000	1	115.7950	0.000	1	116.4867	0.960	11	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:S-4:C-3:	C(CC[6a]H)(NSS)(H)	H(CCN)	N(SC[6a]OO)2(CCH)	C(CC[6a]H)(NSS)(H)	H(CCN)	N(SC[6a]OO)2(CCH)	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[4]-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(C[4]C[4,6]C[4])(NCS)(H)	H(CC[4]N)	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4,6]C[4])(NCS)(H)	H(CC[4]N)	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	116.0130	0.000	1	116.0130	0.000	1	116.1857	1.815	3	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[4]-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(C[4]C[4]2)(NCS)(H)	H(CC[4]N)	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NCS)(H)	H(CC[4]N)	N(CC[6a]CH)(SC[6a]OO)(CC[4]H)	117.6110	0.000	1	117.6110	0.000	1	116.1857	1.815	3	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[4]-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(C[4]C[4]2)(NCS)(H)	H(CC[4]N)	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NCS)(H)	H(CC[4]N)	N(CC[6a]HH)(SC[6a]OO)(CC[4]H)	114.9330	0.000	1	114.9330	0.000	1	116.1857	1.815	3	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[5]-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(C[5]C[5]2)(NCS)(H)	H(CC[5]N)	N(CC[6a]HH)(SC[6a]OO)(CC[5]H)	C(C[5]C[5]2)(NCS)(H)	H(CC[5]N)	N(CC[6a]HH)(SC[6a]OO)(CC[5]H)	116.0360	0.000	1	116.0360	0.000	1	116.0360	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[6]-3:N-3:H-1:	C-3:	S-4:S-4:C-3:	C(C[6]C[6,6a]O[6])(NSS)(H)	H(CC[6]N)	N(SC[6a]OO)2(CC[6]H)	C(C[6]C[6,6a]O[6])(NSS)(H)	H(CC[6]N)	N(SC[6a]OO)2(CC[6]H)	119.3680	0.000	1	119.3680	0.000	1	119.3680	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:H-1:	C-3:	C-4:B-4:C-3:	C(C[6a]C[6a]2)(NBC)(H)	H(CC[6a]N)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(NBC)(H)	H(CC[6a]N)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]HH)2(CC[6a]H)	120.3940	0.000	1	120.3940	0.000	1	120.3940	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:H-1:	C-3:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[6]C)(H)	H(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(NC[6]C)(H)	H(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:C-3:H-1:	C-3:	C[5]-4:S-4:C-3:	C(NC[5]S)(CCH)(H)	H(CCN)	N(C[5]C[5]2H)(SCOO)(CCH)	C(NC[5]S)(CCH)(H)	H(CCN)	N(C[5]C[5]2H)(SCOO)(CCH)	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	B-4:C-4:C-3:	C(NBC)(NCH)(H)	H(CNN)	N(BC[6a]2C)(CCCH)(CHN)	C(NBC)(NCH)(H)	H(CNN)	N(BC[6a]2C)(CCCH)(CHN)	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NBH)(NCC)(H)	H(CNN)	N(CH3)2(CHN)	C(NBH)(NCC)(H)	H(CNN)	N(CH3)2(CHN)	117.3185	0.148	2	117.3185	0.022	2	115.6338	5.583	12	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(H)	H(CNN)	N(CCCH)(CCHH)(CHN)	C(NCC)2(H)	H(CNN)	N(CCCH)(CCHH)(CHN)	115.1863	0.076	3	115.1863	0.006	3	115.6338	5.583	12	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(H)	H(CNN)	N(CCCH)2(CHN)	C(NCC)2(H)	H(CNN)	N(CCCH)2(CHN)	113.3795	0.054	2	113.3795	0.003	2	115.6338	5.583	12	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(H)	H(CNN)	N(CC[6a]HH)(CCHH)(CHN)	C(NCC)2(H)	H(CNN)	N(CC[6a]HH)(CCHH)(CHN)	113.7340	0.000	1	113.7340	0.000	1	115.6338	5.583	12	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(H)	H(CNN)	N(CH3)2(CHN)	C(NCC)2(H)	H(CNN)	N(CH3)2(CHN)	115.0050	0.650	3	115.0050	0.423	3	115.6338	5.583	12	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(H)	H(CNN)	N(CH3)2(CHN)	C(NC[6a]H)(NCC)(H)	H(CNN)	N(CH3)2(CHN)	121.9020	0.000	1	121.9020	0.000	1	115.6338	5.583	12	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)2(H)	H(CNN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	C(NC[5]C)2(H)	H(CNN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	114.5225	0.069	2	114.5225	0.005	2	114.7080	0.106	3	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[6,6]C[5])(NC[5]C)(H)	H(CNN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	C(NC[6,6]C[5])(NC[5]C)(H)	H(CNN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	115.0790	0.000	1	115.0790	0.000	1	114.7080	0.106	3	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C[6,6]-4:C[5]-4:C-3:	C(NC[6,6]C[5])(NC[5]C)(H)	H(CNN)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C(NC[6,6]C[5])(NC[5]C)(H)	H(CNN)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	115.0500	0.000	1	115.0500	0.000	1	114.7405	0.192	2	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C[6,6]-4:C[5]-4:C-3:	C(NC[6,6]C[5])2(H)	H(CNN)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C(NC[6,6]C[5])2(H)	H(CNN)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	114.4310	0.000	1	114.4310	0.000	1	114.7405	0.192	2	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:3:1:	3:	4:4:3:	N-3:N-3:H-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)2(H)	H(CNN)	N(C[6]C[6]2H)(CCHH)(CHN)	C(NC[6]C)2(H)	H(CNN)	N(C[6]C[6]2H)(CCHH)(CHN)	116.3190	0.033	2	116.3190	0.001	2	116.3190	0.001	2	115.3864	3.329	148	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	3:3:1:	N-3:C-4:H-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(H)	H(CCN)	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CC3)(H)	H(CCN)	N(C[6]C[6]N[6])(CCH)(H)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	115.1645	56.467	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	3:3:1:	N-3:C-4:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CH3)(H)	H(CCN)	N(C[6a]C[6a]2)(CCH)(H)	120.4780	0.000	1	120.4780	0.000	1	120.4780	0.000	1	115.1645	56.467	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	3:4:3:	N-3:C-4:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)	H(CCN)	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CH3)(H)	H(CCN)	N(C[6a]C[6a]2)(CCHH)(CCH)	123.8710	0.000	1	123.8710	0.000	1	123.7325	0.038	2	123.7325	0.038	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	3:4:3:	N-3:C-4:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(H)	H(CCN)	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(CHHO)(H)	H(CCN)	N(C[6a]C[6a]2)(CH3)(CCH)	123.5940	0.000	1	123.5940	0.000	1	123.7325	0.038	2	123.7325	0.038	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	4:3:1:	N-3:C-4:H-1:	C-3:	C[6]-4:C-3:O-1:	C(NC[6]O)(CCCH)(H)	H(CCN)	N(C[6]C[6]2H)(CCH)(O)	C(NC[6]O)(CCCH)(H)	H(CCN)	N(C[6]C[6]2H)(CCH)(O)	118.0850	0.000	1	118.0850	0.000	1	118.4125	0.215	2	118.4125	0.215	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	4:3:1:	N-3:C-4:H-1:	C-3:	C[6]-4:C-3:O-1:	C(NC[6]O)(CCHH)(H)	H(CCN)	N(C[6]C[6,6]C[6]H)(CCH)(O)	C(NC[6]O)(CCHH)(H)	H(CCN)	N(C[6]C[6,6]C[6]H)(CCH)(O)	118.7400	0.000	1	118.7400	0.000	1	118.4125	0.215	2	118.4125	0.215	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	6:4:3:	N-3:C-4:H-1:	C-3:	B[3x3,3x5,12x6]-6:C-4:C-3:	C(NB[3x3,3x5,12x6]C)(CH3)(H)	H(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(CH3)(CCH)	C(NB[3x3,3x5,12x6]C)(CH3)(H)	H(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(CH3)(CCH)	115.4670	0.000	1	115.4670	0.000	1	116.1283	0.425	3	116.1283	0.425	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	3:4:1:	3:	6:4:3:	N-3:C-4:H-1:	C-3:	B[3x3,3x5,12x6]-6:C-4:C-3:	C(NB[3x3,3x5,12x6]C)(CH3)(H)	H(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Sn)(CCHH)(CCH)	C(NB[3x3,3x5,12x6]C)(CH3)(H)	H(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Sn)(CCHH)(CCH)	116.4590	0.440	2	116.4590	0.193	2	116.1283	0.425	3	116.1283	0.425	3	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	3:1:1:	C-4:N-3:H-1:	C-3:	C-3:O-1:O-1:	C(CC[6a]CH)(NOO)(H)	H(CCN)	N(CCH)(O)2	C(CC[6a]CH)(NOO)(H)	H(CCN)	N(CCH)(O)2	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	3:3:1:	C-4:N-3:H-1:	C-3:	C-3:C-3:H-1:	C(CHHN)(NCH)(H)	H(CCN)	N(CCH)(CNS)(H)	C(CHHN)(NCH)(H)	H(CCN)	N(CCH)(CNS)(H)	123.9760	0.000	1	123.9760	0.000	1	123.9760	0.000	1	121.1902	3.618	4	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:H-1:	C-3:	C[6a]-3:C-3:O-1:	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(O)	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	H(CC[5]N)	N(C[6a]C[6a]2)(CC[5]H)(O)	120.2617	0.503	3	120.2617	0.253	3	120.2617	0.253	3	121.1902	3.618	4	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:H-1:	C-3:	C-3:C-4:O-1:	C(C[5]C[5]O[5]H)(NCO)(H)	H(CC[5]N)	N(CC[5]H)(CCCH)(O)	C(C[5]C[5]O[5]H)(NCO)(H)	H(CC[5]N)	N(CC[5]H)(CCCH)(O)	120.3470	0.000	1	120.3470	0.000	1	120.3470	0.000	1	120.3470	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	3:4:3:	C-4:N-3:H-1:	C-3:	C-3:C-4:C-3:	C(CHHO)(NCC)(H)	H(CCN)	N(CC[6a]O)(CCHH)(CCH)	C(CHHO)(NCC)(H)	H(CCN)	N(CC[6a]O)(CCHH)(CCH)	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	C(CH3)(NCH)(H)	H(CCN)	N(CCHH)(CCH)(H)	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CCCH)(NCO)(H)	H(CCN)	N(CC3)(CCH)(O)	C(CCCH)(NCO)(H)	H(CCN)	N(CC3)(CCH)(O)	117.2530	0.380	4	117.2530	0.144	4	117.8277	0.680	10	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CCHH)(NCO)(H)	H(CCN)	N(CC[6a]CH)(CCH)(O)	C(CCHH)(NCO)(H)	H(CCN)	N(CC[6a]CH)(CCH)(O)	118.8450	0.000	1	118.8450	0.000	1	117.8277	0.680	10	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CCHN)(NCO)(H)	H(CCN)	N(CC[6a]HH)(CCH)(O)	C(CCHN)(NCO)(H)	H(CCN)	N(CC[6a]HH)(CCH)(O)	118.7890	0.000	1	118.7890	0.000	1	117.8277	0.680	10	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CC[6a]CH)(NCO)(H)	H(CCN)	N(CC3)(CCH)(O)	C(CC[6a]CH)(NCO)(H)	H(CCN)	N(CC3)(CCH)(O)	117.4810	0.000	2	117.4810	0.000	2	117.8277	0.680	10	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CF3)(NCO)(H)	H(CCN)	N(CC[6a]CH)(CCH)(O)	C(CF3)(NCO)(H)	H(CCN)	N(CC[6a]CH)(CCH)(O)	119.2440	0.000	1	119.2440	0.000	1	117.8277	0.680	10	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(CH3)(NCO)(H)	H(CCN)	N(CCHH)(CCH)(O)	C(CH3)(NCO)(H)	H(CCN)	N(CCHH)(CCH)(O)	117.4250	0.000	1	117.4250	0.000	1	117.8277	0.680	10	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:H-1:	C-3:	C-4:C-3:O-1:	C(C[5]C[5]O[5]H)(NCO)(H)	H(CC[5]N)	N(CC[6a]HH)(CC[5]H)(O)	C(C[5]C[5]O[5]H)(NCO)(H)	H(CC[5]N)	N(CC[6a]HH)(CC[5]H)(O)	119.6820	0.000	1	119.6820	0.000	1	119.6820	0.000	1	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:H-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6]H)(H)	H(CC[5]N)	N(C[6]C[6]2H)(CC[5]H)(H)	C(C[5]C[5]2Fe)(NC[6]H)(H)	H(CC[5]N)	N(C[6]C[6]2H)(CC[5]H)(H)	115.0610	0.000	1	115.0610	0.000	1	115.0610	0.000	1	117.0034	8.708	13	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CBCH)(NCC)(H)	H(CCN)	N(CCHH)(CC3)(CCH)	C(CBCH)(NCC)(H)	H(CCN)	N(CCHH)(CC3)(CCH)	116.9240	0.000	1	116.9240	0.000	1	117.3443	2.167	9	117.3443	2.167	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CCHH)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	115.9380	0.000	1	115.9380	0.000	1	117.3443	2.167	9	117.3443	2.167	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CC[6a]HH)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	118.0878	1.628	5	118.0878	2.651	5	117.3443	2.167	9	117.3443	2.167	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CFeHH)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	C(CFeHH)(NCC)(H)	H(CCN)	N(CH3)2(CCH)	116.2760	0.000	1	116.2760	0.000	1	117.3443	2.167	9	117.3443	2.167	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CIr2H)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CIr2H)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	116.5220	0.000	1	116.5220	0.000	1	117.3443	2.167	9	117.3443	2.167	9	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP2	C	H	N	6:3:1:	3:	4:4:3:	P-6:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(PF5)(NCC)(H)	H(CNP)	N(CH3)2(CHP)	C(PF5)(NCC)(H)	H(CNP)	N(CH3)2(CHP)	114.8230	1.788	2	114.8230	3.195	2	114.8230	3.195	2	114.8230	3.195	2	117.0651	7.343	3860	117.0651	7.343	3860
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:1:1:	3:	3:3:3:	N-3:H-1:H-1:	C-3:	C-3:C-3:C-3:	C(NCC)(H)2	H(CHN)	N(CHH)3	C(NCC)(H)2	H(CHN)	N(CHH)3	110.7570	0.082	6	110.7570	0.007	6	110.7570	0.007	6	110.7570	0.007	6	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)2	H(CHN)	N(CCHH)2(CHH)	C(NCC)(H)2	H(CHN)	N(CCHH)2(CHH)	109.4915	1.090	4	109.4915	1.189	4	109.4915	1.189	4	113.5164	14.962	11	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CCHH)2(CHO)	C(NCC)(H)(O)	H(CNO)	N(CCHH)2(CHO)	116.2240	0.000	1	116.2240	0.000	1	115.8163	7.372	7	113.5164	14.962	11	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	H(CNO)	N(CH3)2(CHO)	C(NCC)(H)(O)	H(CNO)	N(CH3)2(CHO)	115.7483	2.968	6	115.7483	8.807	6	115.8163	7.372	7	113.5164	14.962	11	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:2:1:	3:	4:4:3:	N-3:N-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NN)(H)	H(CNN)	N(CH3)2(CHN)	C(NCC)(NN)(H)	H(CNN)	N(CH3)2(CHN)	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	120.1285	5.265	2	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:2:1:	3:	4:4:3:	N-3:O-2:H-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(H)	H(CNO)	N(CH3)2(CHO)	C(NCC)(OC)(H)	H(CNO)	N(CH3)2(CHO)	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	120.1285	5.265	2	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:1:1:	C-3:N-3:H-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]C)(NHH)(H)	H(CCN)	N(CCH)(H)2	C(CC[6a]C)(NHH)(H)	H(CCN)	N(CCH)(H)2	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:3:1:	C[5,6]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(CC[5,6]N)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(CC[5,6]N)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:H-1:	C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C(C[6a]C[6a]2)(NC[6a]O)(H)	H(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:4:3:	C-3:N-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]N[6])(NC[6a]S)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NC[6a]S)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	115.3940	0.000	1	115.3940	0.000	1	115.3940	0.000	1	117.7927	7.286	4	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:4:3:	C[6]-3:N-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(C[6]C[6]2)(NC[6a]S)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NC[6a]S)(H)	H(CC[6]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	117.7927	7.286	4	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:4:3:	N-3:C-3:H-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCI)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCI)(H)	H(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.7927	7.286	4	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:4:3:	N-3:S-3:H-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(SFe2)(H)	H(CNS)	N(C[6a]C[6a]2)(CHHS)(CHS)	C(NC[6a]C)(SFe2)(H)	H(CNS)	N(C[6a]C[6a]2)(CHHS)(CHS)	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	117.7927	7.286	4	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[5]N[5]2)(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	C(C[5]N[5]2)(NCC)(H)	H(CC[5]N)	N(CC[5]H)(CH3)2	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	119.9143	1.402	3	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:H-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]H)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(H)	H(CC[6a]N)	N(CC[6a]H)(CCCH)(CH3)	120.5980	0.000	2	120.5980	0.000	2	120.5980	0.000	2	119.9143	1.402	3	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6]S)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	C(CC[6]S)(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	116.6640	0.000	1	116.6640	0.000	1	118.2450	1.029	5	118.2450	1.029	5	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]2)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	117.9650	0.000	1	117.9650	0.000	1	118.2450	1.029	5	118.2450	1.029	5	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]N)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	H(CCN)	N(SCOO)(CCH)(H)	119.1160	0.082	2	119.1160	0.007	2	118.2450	1.029	5	118.2450	1.029	5	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:3:1:	C-3:N-3:H-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]N[5a])(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	H(CCN)	N(SC[6a]OO)(CCH)(H)	118.3640	0.000	1	118.3640	0.000	1	118.2450	1.029	5	118.2450	1.029	5	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CCS)(NCC)(H)	H(CCN)	N(CC[6a]HH)(CCHH)(CCH)	C(CCS)(NCC)(H)	H(CCN)	N(CC[6a]HH)(CCHH)(CCH)	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C-4:S-4:C-3:	C(CC[6a]C)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	H(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	117.2265	0.046	2	117.2265	0.002	2	117.2265	0.002	2	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	C[6]-4:S-4:C-3:	C(CC[6a]Si)(NC[6]S)(H)	H(CCN)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C(CC[6a]Si)(NC[6]S)(H)	H(CCN)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CCH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CC[4]HH)(CCH)	115.4400	0.000	1	115.4400	0.000	1	116.2174	1.573	5	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[5a]C[6a])(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	114.4490	0.000	1	114.4490	0.000	1	116.2174	1.573	5	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)(H)	H(CCN)	N(SCOO)(CH3)(CCH)	C(CC[6a]H)(NCS)(H)	H(CCN)	N(SCOO)(CH3)(CCH)	116.5820	0.000	1	116.5820	0.000	1	116.2174	1.573	5	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CHH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CHH)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	117.1500	0.000	1	117.1500	0.000	1	116.2174	1.573	5	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C-3:N-3:H-1:	C-3:	S-4:C-4:C-3:	C(CHN)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	H(CCN)	N(SC[6a]OO)(CCHH)(CCH)	117.4660	0.000	1	117.4660	0.000	1	116.2174	1.573	5	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	3:3:1:	3:	4:4:3:	C[4]-3:N-3:H-1:	C-3:	C[6]-4:S-4:C-3:	C(C[4]C[4]2)(NC[6]S)(H)	H(CC[4]N)	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C(C[4]C[4]2)(NC[6]S)(H)	H(CC[4]N)	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	116.9704	2.142	10	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(H)	H(CCN)	N(CC[6a]HH)(CCHH)(CCH)	C(CH3)(NCC)(H)	H(CCN)	N(CC[6a]HH)(CCHH)(CCH)	122.0190	0.000	1	122.0190	0.000	1	115.8155	76.967	2	115.8155	76.967	2	115.8655	14.477	46	115.8655	14.477	46
930	951	956	0:SP2_SP-NON_SP3	C	H	N	4:3:1:	3:	4:4:3:	C-4:N-3:H-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	C(CHHN)(NCC)(H)	H(CCN)	N(CCHH)2(CCH)	109.6120	0.000	1	109.6120	0.000	1	115.8155	76.967	2	115.8155	76.967	2	115.8655	14.477	46	115.8655	14.477	46