941	930	945	0:SP2_SP2_SP3	N	C	P	3:3:	3:3:2:	3:3:2:	C-3:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]2)(PC[6a]2)	C(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(NC)	N(CC[6a]2)(PC[6a]2)	C(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(NC)	123.6650	0.000	1	123.6650	0.000	1	123.6650	0.000	1	122.9150	1.125	2	122.6013	0.470	6	122.6013	0.470	6
941	930	945	0:SP2_SP2_SP3	N	C	P	3:3:	3:3:2:	3:3:2:	C-3:P-3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]N)(PC[6a]2)	C(C[6a]C[6a]2)(NSi2)(NP)	P(C[6a]C[6a]2)2(NC)	N(CC[6a]N)(PC[6a]2)	C(C[6a]C[6a]2)(NSi2)(NP)	P(C[6a]C[6a]2)2(NC)	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	122.9150	1.125	2	122.6013	0.470	6	122.6013	0.470	6
941	930	945	0:SP2_SP2_SP3	N	C	P	3:3:	3:3:2:	4:4:2:	C-3:P-3:	C[6a]-3:C[6a]-3:N-2:	C-4:C-4:N-2:	N(CC[6a]2)(PCC)	C(C[6a]C[6a]2)2(NP)	P(CCCH)2(NC)	N(CC[6a]2)(PCC)	C(C[6a]C[6a]2)2(NP)	P(CCCH)2(NC)	122.8825	0.405	2	122.8825	0.164	2	122.8825	0.164	2	122.5840	0.349	3	122.6013	0.470	6	122.6013	0.470	6
941	930	945	0:SP2_SP2_SP3	N	C	P	3:3:	3:3:2:	4:4:2:	C-3:P-3:	C[6a]-3:N-3:N-2:	C-4:C-4:N-2:	N(CC[6a]N)(PCC)	C(C[6a]C[6a]2)(NCC)(NP)	P(CCCH)2(NC)	N(CC[6a]N)(PCC)	C(C[6a]C[6a]2)(NCC)(NP)	P(CCCH)2(NC)	121.9870	0.000	1	121.9870	0.000	1	121.9870	0.000	1	122.5840	0.349	3	122.6013	0.470	6	122.6013	0.470	6
941	930	945	0:SP2_SP2_SP3	N	C	P	3:3:	4:2:1:	4:4:2:	C-3:P-3:	C-4:N-2:O-1:	C-4:C-4:N-2:	N(CCO)(PCC)	C(CH3)(NP)(O)	P(CCCH)2(NC)	N(CCO)(PCC)	C(CH3)(NP)(O)	P(CCCH)2(NC)	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	122.6013	0.470	6	122.6013	0.470	6
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:1:	2:	C-3:H-1:	N-2:N-2:N-1:	N-2:	N(CNN)(H)	C(NH)2(N)	H(NC)	N(CNN)(H)	C(NH)2(N)	H(NC)	120.0968	3.299	4	120.0968	10.882	4	120.0968	10.882	4	118.5722	9.513	8	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:1:	2:	C-3:H-1:	N-2:N-2:O-1:	N-2:	N(CNO)(H)	C(NC[6a])(NH)(O)	H(NC)	N(CNO)(H)	C(NC[6a])(NH)(O)	H(NC)	118.1535	1.426	2	118.1535	2.034	2	118.1535	2.034	2	118.5722	9.513	8	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:1:	2:	C-3:H-1:	N-2:N-2:S-1:	N-2:	N(CNS)(H)	C(NH)2(S)	H(NC)	N(CNS)(H)	C(NH)2(S)	H(NC)	115.9420	2.903	2	115.9420	8.430	2	115.9420	8.430	2	118.5722	9.513	8	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	N-2:N-2:N-2:	N-2:	N(CNN)(H)	C(NC[6a])(NC)(NH)	H(NC)	N(CNN)(H)	C(NC[6a])(NC)(NH)	H(NC)	120.5680	0.636	2	120.5680	0.405	2	121.7555	2.250	4	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	N-2:N-2:N-2:	N-2:	N(CNN)(H)	C(NH)2(NN)	H(NC)	N(CNN)(H)	C(NH)2(NN)	H(NC)	122.9430	0.839	2	122.9430	0.703	2	121.7555	2.250	4	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	N-2:N-2:S-2:	N-2:	N(CNS)(H)	C(NH)2(SI)	H(NC)	N(CNS)(H)	C(NH)2(SI)	H(NC)	120.2255	1.296	2	120.2255	1.680	2	120.2255	1.680	2	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	S-2:N-2:N-2:	N-2:	N(CNS)(H)	C(SCu)(NH)2	H(NC)	N(CNS)(H)	C(SCu)(NH)2	H(NC)	119.8855	2.559	4	119.8855	6.550	4	118.3999	7.996	8	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	S-2:N-2:N-2:	N-2:	N(CNS)(H)	C(SNi)(NH)(NN)	H(NC)	N(CNS)(H)	C(SNi)(NH)(NN)	H(NC)	114.2260	0.000	1	114.2260	0.000	1	118.3999	7.996	8	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	S-2:N-2:N-2:	N-2:	N(CNS)(H)	C(SPd)(NH)(NN)	H(NC)	N(CNS)(H)	C(SPd)(NH)(NN)	H(NC)	119.9850	0.000	1	119.9850	0.000	1	118.3999	7.996	8	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:2:2:	2:	C-3:H-1:	S-2:N-2:N-2:	N-2:	N(CNS)(H)	C(SZn)(NH)(NN)	H(NC)	N(CNS)(H)	C(SZn)(NH)(NN)	H(NC)	116.7230	1.390	2	116.7230	1.933	2	118.3999	7.996	8	119.6194	7.329	14	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:3:2:	2:	C-3:H-1:	S-2:N-3:N-2:	N-2:	N(CNS)(H)	C(SC[5])(NHH)(NH)	H(NC)	N(CNS)(H)	C(SC[5])(NHH)(NH)	H(NC)	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	122.6283	4.376	3	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:3:2:	2:	C-3:H-1:	Se-2:N-3:N-2:	N-2:	N(CSeN)(H)	C(SeBr)(NCC)(NH)	H(NC)	N(CSeN)(H)	C(SeBr)(NCC)(NH)	H(NC)	123.5035	2.039	2	123.5035	4.156	2	123.5035	4.156	2	122.6283	4.376	3	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:4:2:	2:	C-3:H-1:	O-2:C-4:N-2:	N-2:	N(CCO)(H)	C(OC[6,6])(CCl3)(NH)	H(NC)	N(CCO)(H)	C(OC[6,6])(CCl3)(NH)	H(NC)	103.1870	0.000	1	103.1870	0.000	1	102.2845	1.629	2	102.2845	1.629	2	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	2:4:2:	2:	C-3:H-1:	O-2:C-4:N-2:	N-2:	N(CCO)(H)	C(OC[6])(CCl3)(NH)	H(NC)	N(CCO)(H)	C(OC[6])(CCl3)(NH)	H(NC)	101.3820	0.000	1	101.3820	0.000	1	102.2845	1.629	2	102.2845	1.629	2	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:N-2:O-1:	N-2:	N(CCO)(H)	C(CCC)(NH)(O)	H(NC)	N(CCO)(H)	C(CCC)(NH)(O)	H(NC)	114.2883	2.634	4	114.2883	6.937	4	115.4154	14.368	7	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:N-2:O-1:	N-2:	N(CCO)(H)	C(CCH)(NH)(O)	H(NC)	N(CCO)(H)	C(CCH)(NH)(O)	H(NC)	118.7720	0.000	1	118.7720	0.000	1	115.4154	14.368	7	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:N-2:O-1:	N-2:	N(CCO)(H)	C(CC[5a]O)(NH)(O)	H(NC)	N(CCO)(H)	C(CC[5a]O)(NH)(O)	H(NC)	111.0730	0.000	1	111.0730	0.000	1	115.4154	14.368	7	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:N-2:O-1:	N-2:	N(CCO)(H)	C(CHN)(NH)(O)	H(NC)	N(CCO)(H)	C(CHN)(NH)(O)	H(NC)	120.9100	0.000	1	120.9100	0.000	1	115.4154	14.368	7	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:N-2:O-1:	N-2:	N(CC[5a]O)(H)	C(C[5a]C[5a,6]N[5a])(NH)(O)	H(NC)	N(CC[5a]O)(H)	C(C[5a]C[5a,6]N[5a])(NH)(O)	H(NC)	115.7310	3.114	6	115.7310	9.694	6	116.6184	9.743	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:N-2:O-1:	N-2:	N(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(NH)(O)	H(NC)	N(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(NH)(O)	H(NC)	118.6350	0.000	1	118.6350	0.000	1	116.6184	9.743	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:N-2:O-1:	N-2:	N(CC[5a]O)(H)	C(C[5a]C[5a]2)(NH)(O)	H(NC)	N(CC[5a]O)(H)	C(C[5a]C[5a]2)(NH)(O)	H(NC)	119.9260	0.000	1	119.9260	0.000	1	116.6184	9.743	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:N-2:O-1:	N-2:	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	H(NC)	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	H(NC)	120.0070	1.371	4	120.0070	1.880	4	120.0070	1.880	4	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:N-2:O-1:	N-2:	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	H(NC)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	H(NC)	120.7039	4.293	10	120.7039	18.426	10	120.2235	17.405	12	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:N-2:O-1:	N-2:	N(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NH)(O)	H(NC)	N(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NH)(O)	H(NC)	117.8215	3.432	2	117.8215	11.776	2	120.2235	17.405	12	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:N-2:S-1:	N-2:	N(CC[6a]S)(H)	C(C[6a]C[6a]2)(NH)(S)	H(NC)	N(CC[6a]S)(H)	C(C[6a]C[6a]2)(NH)(S)	H(NC)	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:N-1:	N-2:	N(CNN)(H)	C(NHH)(NH)(N)	H(NC)	N(CNN)(H)	C(NHH)(NH)(N)	H(NC)	120.7020	2.065	2	120.7020	4.263	2	120.7020	4.263	2	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:O-1:	N-2:	N(CNO)(H)	C(NCH)(NH)(O)	H(NC)	N(CNO)(H)	C(NCH)(NH)(O)	H(NC)	113.3820	4.372	3	113.3820	19.111	3	116.5441	17.631	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:O-1:	N-2:	N(CNO)(H)	C(NC[6a]2)(NH)(O)	H(NC)	N(CNO)(H)	C(NC[6a]2)(NH)(O)	H(NC)	114.9020	0.000	1	114.9020	0.000	1	116.5441	17.631	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:O-1:	N-2:	N(CNO)(H)	C(NC[6a]H)(NH)(O)	H(NC)	N(CNO)(H)	C(NC[6a]H)(NH)(O)	H(NC)	119.8940	0.000	1	119.8940	0.000	1	116.5441	17.631	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:O-1:	N-2:	N(CNO)(H)	C(NHH)(NH)(O)	H(NC)	N(CNO)(H)	C(NHH)(NH)(O)	H(NC)	119.3940	0.000	1	119.3940	0.000	1	116.5441	17.631	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:O-1:	N-2:	N(CNO)(H)	C(NHN)(NH)(O)	H(NC)	N(CNO)(H)	C(NHN)(NH)(O)	H(NC)	119.0085	4.584	2	119.0085	21.015	2	116.5441	17.631	8	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:S-1:	N-2:	N(CNS)(H)	C(NCH)(NH)(S)	H(NC)	N(CNS)(H)	C(NCH)(NH)(S)	H(NC)	120.2287	0.978	3	120.2287	0.957	3	119.9720	1.855	5	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:S-1:	N-2:	N(CNS)(H)	C(NHN)(NH)(S)	H(NC)	N(CNS)(H)	C(NHN)(NH)(S)	H(NC)	119.5870	2.239	2	119.5870	5.012	2	119.9720	1.855	5	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:N-2:Se-1:	N-2:	N(CSeN)(H)	C(NHN)(NH)(Se)	H(NC)	N(CSeN)(H)	C(NHN)(NH)(Se)	H(NC)	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	118.3620	15.216	48	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C-3:N-2:O-2:	N-2:	N(CCO)(H)	C(CCC)(NH)(OH)	H(NC)	N(CCO)(H)	C(CCC)(NH)(OH)	H(NC)	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C-3:O-2:N-2:	N-2:	N(CCO)(H)	C(CCH)(ONi)(NH)	H(NC)	N(CCO)(H)	C(CCH)(ONi)(NH)	H(NC)	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5a]-3:N-2:N-2:	N-2:	N(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NH)(NN)	H(NC)	N(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NH)(NN)	H(NC)	115.5170	0.000	1	115.5170	0.000	1	116.7435	3.009	2	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5a]-3:N-2:N-2:	N-2:	N(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NH)(NS)	H(NC)	N(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NH)(NS)	H(NC)	117.9700	0.000	1	117.9700	0.000	1	116.7435	3.009	2	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5a]-3:N-2:O-2:	N-2:	N(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NH)(OC)	H(NC)	N(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NH)(OC)	H(NC)	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6]-3:O-2:N-2:	N-2:	N(CC[6]O)(H)	C(C[6]C[6]N[6])(ONi)(NH)	H(NC)	N(CC[6]O)(H)	C(C[6]C[6]N[6])(ONi)(NH)	H(NC)	124.1120	0.000	1	124.1120	0.000	1	124.1120	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:N-2:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NH)2	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NH)2	H(NC)	124.5690	2.004	2	124.5690	4.016	2	121.7825	8.301	6	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:N-2:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NH)2	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NH)2	H(NC)	120.3893	2.175	4	120.3893	4.732	4	121.7825	8.301	6	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:N-2:O-2:	N-2:	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(OC)	H(NC)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(OC)	H(NC)	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:N-2:	N-2:	N(CNN)(H)	C(NCH)(NH)(NN)	H(NC)	N(CNN)(H)	C(NCH)(NH)(NN)	H(NC)	114.0540	0.000	1	114.0540	0.000	1	118.4885	11.453	35	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:N-2:	N-2:	N(CNN)(H)	C(NCH)(NH)2	H(NC)	N(CNN)(H)	C(NCH)(NH)2	H(NC)	122.1937	3.733	4	122.1937	13.932	4	118.4885	11.453	35	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:N-2:	N-2:	N(CNN)(H)	C(NCuH)(NC)(NH)	H(NC)	N(CNN)(H)	C(NCuH)(NC)(NH)	H(NC)	113.3900	0.000	1	113.3900	0.000	1	118.4885	11.453	35	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:N-2:	N-2:	N(CNN)(H)	C(NHH)(NC)(NH)	H(NC)	N(CNN)(H)	C(NHH)(NC)(NH)	H(NC)	118.0160	2.161	4	118.0160	4.671	4	118.4885	11.453	35	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:N-2:	N-2:	N(CNN)(H)	C(NHH)(NH)(NN)	H(NC)	N(CNN)(H)	C(NHH)(NH)(NN)	H(NC)	120.7503	3.384	3	120.7503	11.453	3	118.4885	11.453	35	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:N-2:	N-2:	N(CNN)(H)	C(NHH)(NH)2	H(NC)	N(CNN)(H)	C(NHH)(NH)2	H(NC)	118.0256	3.001	22	118.0256	9.007	22	118.4885	11.453	35	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:S-2:	N-2:	N(CNS)(H)	C(NHH)(NH)(SC)	H(NC)	N(CNS)(H)	C(NHH)(NH)(SC)	H(NC)	120.6570	3.267	2	120.6570	10.672	2	120.6570	10.672	2	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:S-2:N-2:	N-2:	N(CNS)(H)	C(NHH)(SCd)(NH)	H(NC)	N(CNS)(H)	C(NHH)(SCd)(NH)	H(NC)	117.2270	0.000	1	117.2270	0.000	1	119.3237	21.555	9	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:S-2:N-2:	N-2:	N(CNS)(H)	C(NHH)(SCu)(NH)	H(NC)	N(CNS)(H)	C(NHH)(SCu)(NH)	H(NC)	120.8367	1.435	3	120.8367	2.060	3	119.3237	21.555	9	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:S-2:N-2:	N-2:	N(CNS)(H)	C(NHH)(SZn)(NH)	H(NC)	N(CNS)(H)	C(NHH)(SZn)(NH)	H(NC)	119.0460	7.187	4	119.0460	51.658	4	119.3237	21.555	9	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:S-2:N-2:	N-2:	N(CNS)(H)	C(NHN)(SSn)(NH)	H(NC)	N(CNS)(H)	C(NHN)(SSn)(NH)	H(NC)	117.9920	0.000	1	117.9920	0.000	1	119.3237	21.555	9	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N[5]-3:S-2:N-2:	N-2:	N(CN[5]S)(H)	C(N[5]C[5]N[5])(SRe)(NH)	H(NC)	N(CN[5]S)(H)	C(N[5]C[5]N[5])(SRe)(NH)	H(NC)	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N[5a]-3:N-2:N-2:	N-2:	N(CN[5a]N)(H)	C(N[5a]C[5a]N[5a])(NC)(NH)	H(NC)	N(CN[5a]N)(H)	C(N[5a]C[5a]N[5a])(NC)(NH)	H(NC)	111.7270	0.139	2	111.7270	0.019	2	111.7270	0.019	2	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:2:2:	2:	C-3:H-1:	S-3:N-2:N-2:	N-2:	N(CNS)(H)	C(SCd2)(NH)(NN)	H(NC)	N(CNS)(H)	C(SCd2)(NH)(NN)	H(NC)	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	118.3230	18.366	63	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5a]-3:C-3:N-2:	N-2:	N(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(COO)(NH)	H(NC)	N(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(COO)(NH)	H(NC)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:N-3:N-2:	N-2:	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NMnN)(NH)	H(NC)	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NMnN)(NH)	H(NC)	117.1520	0.000	1	117.1520	0.000	1	113.9267	35.638	3	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:N-3:N-2:	N-2:	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NNiN)(NH)	H(NC)	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NNiN)(NH)	H(NC)	117.5900	0.000	1	117.5900	0.000	1	113.9267	35.638	3	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:N-3:N-2:	N-2:	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NPtN)(NH)	H(NC)	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NPtN)(NH)	H(NC)	107.0380	0.000	1	107.0380	0.000	1	113.9267	35.638	3	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:N-2:	N-2:	N(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	H(NC)	N(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	H(NC)	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(CC[6a]2)(H)	C(C[6a]C[6a]2)2(NH)	H(NC)	N(CC[6a]2)(H)	C(C[6a]C[6a]2)2(NH)	H(NC)	110.6610	1.113	3	110.6610	1.238	3	110.6610	1.238	3	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	H(NC)	118.5950	1.840	2	118.5950	3.385	2	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	H(NC)	111.6600	0.000	1	111.6600	0.000	1	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	H(NC)	125.1910	0.000	1	125.1910	0.000	1	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	H(NC)	108.0440	4.190	3	108.0440	17.555	3	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHH)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHH)(NH)	H(NC)	114.4080	4.905	6	114.4080	24.063	6	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(NH)	H(NC)	114.0100	0.000	1	114.0100	0.000	1	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NPtO)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NPtO)(NH)	H(NC)	120.1150	0.000	1	120.1150	0.000	1	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:N-2:	N-2:	N(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	H(NC)	N(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	H(NC)	120.3000	0.000	1	120.3000	0.000	1	114.9404	33.474	16	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:C-3:N-2:	N-2:	N(CCN)(H)	C(NCoO)(CNN)(NH)	H(NC)	N(CCN)(H)	C(NCoO)(CNN)(NH)	H(NC)	119.6635	2.442	2	119.6635	5.962	2	119.6635	5.962	2	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NCC)(NCH)(NH)	H(NC)	N(CNN)(H)	C(NCC)(NCH)(NH)	H(NC)	118.2480	0.000	1	118.2480	0.000	1	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NCC)(NHH)(NH)	H(NC)	N(CNN)(H)	C(NCC)(NHH)(NH)	H(NC)	116.8000	0.000	2	116.8000	0.000	2	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NCC)2(NH)	H(NC)	N(CNN)(H)	C(NCC)2(NH)	H(NC)	111.3814	4.808	5	111.3814	23.116	5	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NCH)(NHH)(NH)	H(NC)	N(CNN)(H)	C(NCH)(NHH)(NH)	H(NC)	117.1757	3.925	7	117.1757	15.406	7	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NC[6a]C)2(NH)	H(NC)	N(CNN)(H)	C(NC[6a]C)2(NH)	H(NC)	111.8360	0.000	1	111.8360	0.000	1	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NCoC)(NHH)(NH)	H(NC)	N(CNN)(H)	C(NCoC)(NHH)(NH)	H(NC)	120.9860	0.000	1	120.9860	0.000	1	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NHH)(NHN)(NH)	H(NC)	N(CNN)(H)	C(NHH)(NHN)(NH)	H(NC)	118.2993	2.060	4	118.2993	4.244	4	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NHH)2(NH)	H(NC)	N(CNN)(H)	C(NHH)2(NH)	H(NC)	116.0258	4.347	28	116.0258	18.899	28	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NNiN)(NHN)(NH)	H(NC)	N(CNN)(H)	C(NNiN)(NHN)(NH)	H(NC)	117.7970	0.000	1	117.7970	0.000	1	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:N-2:	N-2:	N(CNN)(H)	C(NZnN)(NHN)(NH)	H(NC)	N(CNN)(H)	C(NZnN)(NHN)(NH)	H(NC)	120.1330	0.000	1	120.1330	0.000	1	116.1109	18.272	51	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N[6]-3:C-3:N-2:	N-2:	N(CN[6]C)(H)	C(N[6]C[6]2)(CCH)(NH)	H(NC)	N(CN[6]C)(H)	C(N[6]C[6]2)(CCH)(NH)	H(NC)	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N[6]-3:N-3:N-2:	N-2:	N(CN[6]N)(H)	C(N[6]C[6]2)(NHH)(NH)	H(NC)	N(CN[6]N)(H)	C(N[6]C[6]2)(NHH)(NH)	H(NC)	107.9185	0.146	2	107.9185	0.021	2	107.9185	0.021	2	115.2941	22.907	80	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	3:4:2:	2:	C-3:H-1:	N[6]-3:C-4:N-2:	N-2:	N(CN[6]C)(H)	C(N[6]C[6]2)(CH3)(NH)	H(NC)	N(CN[6]C)(H)	C(N[6]C[6]2)(CH3)(NH)	H(NC)	122.7090	0.000	1	122.7090	0.000	1	122.7090	0.000	1	122.7090	0.000	1	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:N-2:H-1:	N-2:	N(CCH)(H)	C(CH3)(NH)(H)	H(NC)	N(CCH)(H)	C(CH3)(NH)(H)	H(NC)	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:N-2:O-1:	N-2:	N(CCO)(H)	C(CCHH)(NH)(O)	H(NC)	N(CCO)(H)	C(CCHH)(NH)(O)	H(NC)	131.6010	0.000	1	131.6010	0.000	1	119.6524	95.802	5	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:N-2:O-1:	N-2:	N(CCO)(H)	C(CCHN)(NH)(O)	H(NC)	N(CCO)(H)	C(CCHN)(NH)(O)	H(NC)	114.9305	13.748	2	114.9305	189.015	2	119.6524	95.802	5	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:N-2:O-1:	N-2:	N(CCO)(H)	C(CH3)(NH)(O)	H(NC)	N(CCO)(H)	C(CH3)(NH)(O)	H(NC)	119.7590	0.000	1	119.7590	0.000	1	119.6524	95.802	5	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:N-2:O-1:	N-2:	N(CCO)(H)	C(CHHN)(NH)(O)	H(NC)	N(CCO)(H)	C(CHHN)(NH)(O)	H(NC)	117.0410	0.000	1	117.0410	0.000	1	119.6524	95.802	5	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:N-2:O-1:	N-2:	N(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NH)(O)	H(NC)	N(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NH)(O)	H(NC)	120.5020	0.000	1	120.5020	0.000	1	122.0723	20.164	3	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:N-2:O-1:	N-2:	N(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NH)(O)	H(NC)	N(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NH)(O)	H(NC)	118.5780	0.000	1	118.5780	0.000	1	122.0723	20.164	3	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:N-2:O-1:	N-2:	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(O)	H(NC)	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(O)	H(NC)	127.1370	0.000	1	127.1370	0.000	1	122.0723	20.164	3	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:N-2:O-1:	N-2:	N(CC[6]O)(H)	C(C[6]C[6]2H)(NH)(O)	H(NC)	N(CC[6]O)(H)	C(C[6]C[6]2H)(NH)(O)	H(NC)	118.4860	0.000	1	118.4860	0.000	1	119.8320	3.623	2	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:N-2:O-1:	N-2:	N(CC[6]O)(H)	C(C[6]C[6]2N)(NH)(O)	H(NC)	N(CC[6]O)(H)	C(C[6]C[6]2N)(NH)(O)	H(NC)	121.1780	0.000	1	121.1780	0.000	1	119.8320	3.623	2	119.5279	52.541	11	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:N-2:N-2:	N-2:	N(CCN)(H)	C(CCl3)(NC)(NH)	H(NC)	N(CCN)(H)	C(CCl3)(NC)(NH)	H(NC)	110.7481	1.333	8	110.7481	1.776	8	110.7172	1.428	10	111.1427	8.884	15	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:N-2:N-2:	N-2:	N(CCN)(H)	C(CF3)(NC)(NH)	H(NC)	N(CCN)(H)	C(CF3)(NC)(NH)	H(NC)	110.5935	0.619	2	110.5935	0.383	2	110.7172	1.428	10	111.1427	8.884	15	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:N-2:O-2:	N-2:	N(CCO)(H)	C(CCl3)(NH)(OC)	H(NC)	N(CCO)(H)	C(CCl3)(NH)(OC)	H(NC)	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	111.1427	8.884	15	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:N-2:	N-2:	N(CCO)(H)	C(CCHH)(OSn)(NH)	H(NC)	N(CCO)(H)	C(CCHH)(OSn)(NH)	H(NC)	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	111.1427	8.884	15	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C[5]-4:N-2:O-2:	N-2:	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(OC)	H(NC)	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(OC)	H(NC)	108.8037	0.630	3	108.8037	0.397	3	108.8037	0.397	3	111.1427	8.884	15	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:N-2:	N-2:	N(CCC)(H)	C(CH3)(CCC)(NH)	H(NC)	N(CCC)(H)	C(CH3)(CCC)(NH)	H(NC)	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	115.3106	47.009	5	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:N-2:	N-2:	N(CCN)(H)	C(CCHH)(NOU)(NH)	H(NC)	N(CCN)(H)	C(CCHH)(NOU)(NH)	H(NC)	120.1300	0.000	1	120.1300	0.000	1	114.6290	59.582	4	115.3106	47.009	5	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:N-2:	N-2:	N(CCN)(H)	C(CH3)(NHH)(NH)	H(NC)	N(CCN)(H)	C(CH3)(NHH)(NH)	H(NC)	122.2730	0.000	1	122.2730	0.000	1	114.6290	59.582	4	115.3106	47.009	5	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:N-2:	N-2:	N(CCN)(H)	C(CH3)(NHN)(NH)	H(NC)	N(CCN)(H)	C(CH3)(NHN)(NH)	H(NC)	109.4090	0.000	1	109.4090	0.000	1	114.6290	59.582	4	115.3106	47.009	5	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:N-2:	N-2:	N(CCN)(H)	C(CN[5a]2H)(NCC)(NH)	H(NC)	N(CCN)(H)	C(CN[5a]2H)(NCC)(NH)	H(NC)	106.7040	0.000	1	106.7040	0.000	1	114.6290	59.582	4	115.3106	47.009	5	116.9683	25.663	251	116.9683	25.663	251
941	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:	4:4:2:	2:	C-3:H-1:	C-4:C-4:N-2:	N-2:	N(CCC)(H)	C(CC3)2(NH)	H(NC)	N(CCC)(H)	C(CC3)2(NH)	H(NC)	122.8790	0.000	1	122.8790	0.000	1	122.8790	0.000	1	122.8790	0.000	1	116.9683	25.663	251	116.9683	25.663	251
941	930	952	0:SP2_SP2_SP3	N	C	S	3:4:	3:2:2:	4:4:2:1:	C-3:S-4:	C[6a]-3:N-2:N-2:	C-4:C-4:N-2:O-1:	N(CC[6a]N)(SCCO)	C(C[6a]C[6a]2)(NC[6a])(NS)	S(CH3)2(NC)(O)	N(CC[6a]N)(SCCO)	C(C[6a]C[6a]2)(NC[6a])(NS)	S(CH3)2(NC)(O)	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	3:4:	3:3:2:	2:2:1:1:	C-3:S-4:	C[6a]-3:C[4]-3:N-2:	N-2:O-2:O-1:O-1:	N(CC[6a]C[4])(SO3)	C(C[6a]C[6a]2)(C[4]C[4]2)(NS)	S(NC)(OC)(O)2	N(CC[6a]C[4])(SO3)	C(C[6a]C[6a]2)(C[4]C[4]2)(NS)	S(NC)(OC)(O)2	126.8400	1.232	4	126.8400	1.517	4	126.8400	1.517	4	126.8400	1.517	4	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	3:4:	3:3:2:	3:2:1:1:	C-3:S-4:	C[5a]-3:N[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(CC[5a]N[6])(SC[6a]OO)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(CC[5a]N[6])(SC[6a]OO)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	3:4:	3:3:2:	3:4:2:1:	C-3:S-4:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:O-1:	N(CC[6a]C[5])(SC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	S(C[6a]C[6a]2)(CH3)(NC)(O)	N(CC[6a]C[5])(SC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	S(C[6a]C[6a]2)(CH3)(NC)(O)	122.0760	0.690	2	122.0760	0.476	2	122.0760	0.476	2	122.0760	0.476	2	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:1:1:	2:1:1:1:	S-4:C-3:	N-2:F-1:O-1:	N-2:F-1:F-1:O-1:	N(SFFO)(CFO)	C(NS)(F)(O)	S(NC)(F)2(O)	N(SFFO)(CFO)	C(NS)(F)(O)	S(NC)(F)2(O)	120.9610	0.080	3	120.9610	0.006	3	120.9610	0.006	3	120.9610	0.006	3	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:1:1:	4:2:1:1:	S-4:C-3:	N-2:F-1:O-1:	C-4:N-2:F-1:F-1:	N(SCFF)(CFO)	C(NS)(F)(O)	S(CF3)(NC)(F)2	N(SCFF)(CFO)	C(NS)(F)(O)	S(CF3)(NC)(F)2	111.4530	1.224	4	111.4530	1.498	4	111.4530	1.498	4	111.4530	1.498	4	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:2:1:	3:2:1:1:	S-4:C-3:	N-2:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNO)	C(NC)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNO)	C(NC)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:2:2:	3:2:1:1:	S-4:C-3:	S-2:S-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CSS)	C(SNi)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CSS)	C(SNi)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	120.8908	1.689	5	120.8908	2.853	5	121.2529	2.189	8	121.2529	2.189	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:2:2:	3:2:1:1:	S-4:C-3:	S-2:S-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CSS)	C(SPt)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CSS)	C(SPt)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.8563	1.040	3	121.8563	1.081	3	121.2529	2.189	8	121.2529	2.189	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:2:2:	4:2:1:1:	S-4:C-3:	S-2:S-2:N-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CSS)	C(SNi)2(NS)	S(CCHH)(NC)(O)2	N(SCOO)(CSS)	C(SNi)2(NS)	S(CCHH)(NC)(O)2	123.5450	0.000	1	123.5450	0.000	1	122.5467	0.784	3	122.5467	0.784	3	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	2:2:2:	4:2:1:1:	S-4:C-3:	S-2:S-2:N-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CSS)	C(SZn)2(NS)	S(CF3)(NC)(O)2	N(SCOO)(CSS)	C(SZn)2(NS)	S(CF3)(NC)(O)2	122.0475	0.271	2	122.0475	0.073	2	122.5467	0.784	3	122.5467	0.784	3	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCH)	C(CCC)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCH)	C(CCC)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	122.1320	0.000	1	122.1320	0.000	1	117.7376	6.859	5	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCH)	C(CCH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCH)	C(CCH)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	116.5960	0.000	1	116.5960	0.000	1	117.7376	6.859	5	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCH)	C(CCS)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCH)	C(CCS)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	117.3100	0.000	1	117.3100	0.000	1	117.7376	6.859	5	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCH)	C(CC[5a]C)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCH)	C(CC[5a]C)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	117.4760	0.000	1	117.4760	0.000	1	117.7376	6.859	5	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	115.1740	0.000	1	115.1740	0.000	1	117.7376	6.859	5	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]H)	C(C[5a]C[5a,6a]C[5a])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	116.2640	0.423	2	116.2640	0.179	2	116.1143	0.157	3	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]H)	C(C[5a]C[5a]N[5a])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]H)	C(C[5a]C[5a]N[5a])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	115.8150	0.000	1	115.8150	0.000	1	116.1143	0.157	3	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C[6]-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	C[6a]-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CHN)	C(NCC)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CHN)	C(NCC)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	115.8150	0.054	2	115.8150	0.003	2	115.9097	0.028	3	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CHN)	C(NC[6a]C)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CHN)	C(NC[6a]C)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	116.0990	0.000	1	116.0990	0.000	1	115.9097	0.028	3	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:O-1:	C[6]-3:N-2:O-1:O-1:	N(SC[6]OO)(CNO)	C(NCH)(NS)(O)	S(C[6]C[6]2)(NC)(O)2	N(SC[6]OO)(CNO)	C(NCH)(NS)(O)	S(C[6]C[6]2)(NC)(O)2	118.7975	0.742	2	118.7975	0.550	2	118.7975	0.550	2	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNO)	C(NCH)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNO)	C(NCH)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	122.3280	3.171	3	122.3280	10.053	3	121.2897	6.292	9	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNO)	C(NC[6]H)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNO)	C(NC[6]H)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	118.7910	0.486	3	118.7910	0.236	3	121.2897	6.292	9	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNO)	C(NC[6a]H)(NS)(O)	S(C[6a]C[6a]N[6a])(NC)(O)2	N(SC[6a]OO)(CNO)	C(NC[6a]H)(NS)(O)	S(C[6a]C[6a]N[6a])(NC)(O)2	122.2680	0.020	2	122.2680	0.000	2	121.2897	6.292	9	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:2:1:1:	S-4:C-3:	N-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNO)	C(NHN)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNO)	C(NHN)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	123.7140	0.000	1	123.7140	0.000	1	121.2897	6.292	9	118.5264	8.544	25	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:3:2:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(SC[6a]2O)(CCH)	C(CC[6a]2)(NS)(H)	S(C[6a]C[6a]2)2(NC)(O)	N(SC[6a]2O)(CCH)	C(CC[6a]2)(NS)(H)	S(C[6a]C[6a]2)2(NC)(O)	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	116.5990	0.536	3	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:3:2:1:	S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:N[6]-3:N-2:O-1:	N(SC[6a]N[6]O)(CCH)	C(CC[6a]H)(NS)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(NC)(O)	N(SC[6a]N[6]O)(CCH)	C(CC[6a]H)(NS)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(NC)(O)	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	116.5990	0.536	3	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:3:2:1:	S-4:C-3:	N-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(SC[6a]2O)(CNO)	C(NCS)(NS)(O)	S(C[6a]C[6a]2)2(NC)(O)	N(SC[6a]2O)(CNO)	C(NCS)(NS)(O)	S(C[6a]C[6a]2)2(NC)(O)	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	116.5990	0.536	3	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	3:4:2:1:	S-4:C-3:	C-3:N-2:O-1:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(CCO)	C(CC[6a]C)(NS)(O)	S(C[6a]C[6a]2)(CH3)(NC)(O)	N(SC[6a]CO)(CCO)	C(CC[6a]C)(NS)(O)	S(C[6a]C[6a]2)(CH3)(NC)(O)	120.0070	0.000	1	120.0070	0.000	1	120.0070	0.000	1	120.0070	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	4:2:2:1:	S-4:C-3:	C-3:N-2:H-1:	C-4:N-2:O-2:O-1:	N(SCOO)(CCH)	C(CC[6a]O)(NS)(H)	S(CH3)(NC)(OC)(O)	N(SCOO)(CCH)	C(CC[6a]O)(NS)(H)	S(CH3)(NC)(OC)(O)	118.9750	0.000	1	118.9750	0.000	1	118.9750	0.000	1	118.9750	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:1:	4:4:2:1:	S-4:C-3:	C-3:N-2:O-1:	C-4:C-4:N-2:O-1:	N(SCCO)(CCO)	C(CC[6a]O)(NS)(O)	S(CH3)2(NC)(O)	N(SCCO)(CCO)	C(CC[6a]O)(NS)(O)	S(CH3)2(NC)(O)	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	3:2:1:1:	S-4:C-3:	C-3:N-2:O-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCO)	C(CCH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCO)	C(CCH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	122.1960	1.222	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	3:2:1:1:	S-4:C-3:	C[5a]-3:N-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]N[5a])(NH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]N[5a])(NH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	122.1960	1.222	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	122.1960	1.222	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:N-2:O-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	122.1960	1.222	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	3:2:1:1:	S-4:C-3:	N-3:N-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNN)	C(NHH)(NN)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNN)	C(NHH)(NN)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.3940	0.143	2	121.3940	0.020	2	121.3940	0.020	2	122.1960	1.222	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	3:2:2:1:	S-4:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-2:N-2:O-1:	N(SC[6a]NO)(CC[6a]N)	C(C[6a]C[6a]2)(NS)2	S(C[6a]C[6a]2)(NC)2(O)	N(SC[6a]NO)(CC[6a]N)	C(C[6a]C[6a]2)(NS)2	S(C[6a]C[6a]2)(NC)2(O)	123.6019	6.030	8	123.6019	36.364	8	123.6019	36.364	8	123.6019	36.364	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:2:2:	4:2:1:1:	S-4:C-3:	C-3:N-2:O-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CCO)	C(CC[6a]N)(NS)(OC)	S(CC3)(NC)(O)2	N(SCOO)(CCO)	C(CC[6a]N)(NS)(OC)	S(CC3)(NC)(O)2	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCC)	C(CCH)(CCN)(NS)	S(C[6a]C[6a,6a]C[6a])(NC)(O)2	N(SC[6a]OO)(CCC)	C(CCH)(CCN)(NS)	S(C[6a]C[6a,6a]C[6a])(NC)(O)2	126.8050	0.000	1	126.8050	0.000	1	124.1425	14.178	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCC)	C(CCH)(COO)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCC)	C(CCH)(COO)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.4800	0.000	1	121.4800	0.000	1	124.1425	14.178	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CCC)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CCC)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	125.2000	0.000	1	125.2000	0.000	1	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CCC)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CCC)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.1450	0.000	1	122.1450	0.000	1	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CCH)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CCH)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.4780	2.183	4	122.4780	4.764	4	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6]C)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6]C)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	125.3590	0.000	1	125.3590	0.000	1	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]C)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]C)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.5160	0.000	1	122.5160	0.000	1	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]N)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]N)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	119.1920	0.000	1	119.1920	0.000	1	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]P)(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]P)(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	123.3310	0.774	2	123.3310	0.598	2	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CNO)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CNO)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	123.5390	0.291	2	123.5390	0.085	2	122.9280	3.556	13	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[5a]-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NS)	S(C[6a]C[6a]2)(NC)(O)2	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[5a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]2)(NHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]2)(NHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.7870	0.000	1	122.7870	0.000	1	123.9823	1.081	3	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[5a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	124.6770	0.000	1	124.6770	0.000	1	123.9823	1.081	3	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[5a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]N[5a])(NHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5a]N)	C(C[5a]C[5a]N[5a])(NHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	124.4830	0.000	1	124.4830	0.000	1	123.9823	1.081	3	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.0270	0.000	1	121.0270	0.000	1	124.3620	22.244	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(NS)	S(C[6a]C[6a]2)(NC)(O)2	127.6970	0.000	1	127.6970	0.000	1	124.3620	22.244	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	126.4520	0.000	1	126.4520	0.000	1	123.5165	17.234	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	120.5810	0.000	1	120.5810	0.000	1	123.5165	17.234	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(NC[6a]H)(CCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(NC[6a]H)(CCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	125.0998	0.472	5	125.0998	0.223	5	125.0998	0.223	5	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNN)	C(NCC)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNN)	C(NCC)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	125.8963	3.146	3	125.8963	9.895	3	123.2549	8.127	18	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNN)	C(NC[6]C)(NC[6]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNN)	C(NC[6]C)(NC[6]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	124.4978	3.021	5	124.4978	9.124	5	123.2549	8.127	18	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNN)	C(NC[6a]C)(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNN)	C(NC[6a]C)(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.4290	0.000	1	121.4290	0.000	1	123.2549	8.127	18	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNN)	C(NC[6a]H)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNN)	C(NC[6a]H)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	125.1270	0.113	2	125.1270	0.013	2	123.2549	8.127	18	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N-3:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CNN)	C(NHH)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CNN)	C(NHH)2(NS)	S(C[6a]C[6a]2)(NC)(O)2	120.9611	1.002	7	120.9611	1.005	7	123.2549	8.127	18	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:2:1:1:	S-4:C-3:	N[6]-3:C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CN[6]C)	C(N[6]C[6]2)(CCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CN[6]C)	C(N[6]C[6]2)(CCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.6825	0.654	2	121.6825	0.428	2	121.6825	0.428	2	123.4306	5.651	48	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:3:2:1:	S-4:C-3:	C-3:N-3:N-2:	C[6a]-3:C[6a]-3:N-2:O-1:	N(SC[6a]2O)(CCN)	C(CC[6a]H)(NCS)(NS)	S(C[6a]C[6a]2)2(NC)(O)	N(SC[6a]2O)(CCN)	C(CC[6a]H)(NCS)(NS)	S(C[6a]C[6a]2)2(NC)(O)	125.8770	0.000	1	125.8770	0.000	1	125.8770	0.000	1	125.8770	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	3:4:2:1:	S-4:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	S(C[6a]C[6a]2)(CH3)(NC)(O)	N(SC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	S(C[6a]C[6a]2)(CH3)(NC)(O)	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	4:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CCN)	C(CCH)(NCC)(NS)	S(CH3)(NC)(O)2	N(SCOO)(CCN)	C(CCH)(NCC)(NS)	S(CH3)(NC)(O)2	120.4570	0.000	1	120.4570	0.000	1	125.2445	45.840	2	125.2445	45.840	2	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:3:2:	4:2:1:1:	S-4:C-3:	C-3:N-3:N-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CCN)	C(CC[6a]P)(NC[6a]C)(NS)	S(CH3)(NC)(O)2	N(SCOO)(CCN)	C(CC[6a]P)(NC[6a]C)(NS)	S(CH3)(NC)(O)2	130.0320	0.000	1	130.0320	0.000	1	125.2445	45.840	2	125.2445	45.840	2	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:4:2:	3:2:1:1:	S-4:C-3:	C-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCC)	C(CC[6a]2)(CCHN)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCC)	C(CC[6a]2)(CCHN)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	122.1607	1.038	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:4:2:	3:2:1:1:	S-4:C-3:	C[6]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6]C)	C(C[6]C[6]2)(CH3)(NS)	S(C[6a]C[6a]N[6a])(NC)(O)2	N(SC[6a]OO)(CC[6]C)	C(C[6]C[6]2)(CH3)(NS)	S(C[6a]C[6a]N[6a])(NC)(O)2	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	122.1607	1.038	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:4:2:	3:2:1:1:	S-4:C-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	122.1607	1.038	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:4:2:	3:2:1:1:	S-4:C-3:	N-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(NC[6]H)(CH3)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(NC[6]H)(CH3)(NS)	S(C[6a]C[6a]2)(NC)(O)2	121.8750	0.284	2	121.8750	0.081	2	121.8750	0.081	2	122.1607	1.038	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	3:4:2:	3:2:1:1:	S-4:C-3:	N[5]-3:C-4:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CN[5]C)	C(N[5]C[5,6a]C[5])(CH3)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CN[5]C)	C(N[5]C[5,6a]C[5])(CH3)(NS)	S(C[6a]C[6a]2)(NC)(O)2	124.1860	0.000	1	124.1860	0.000	1	124.1860	0.000	1	122.1607	1.038	6	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:1:	2:2:1:1:	S-4:C-3:	C-4:N-2:S-1:	O-2:N-2:O-1:O-1:	N(SO3)(CCS)	C(CH3)(NS)(S)	S(OC[6a])(NC)(O)2	N(SO3)(CCS)	C(CH3)(NS)(S)	S(OC[6a])(NC)(O)2	129.3260	0.000	1	129.3260	0.000	1	129.3260	0.000	1	129.3260	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:1:	3:2:1:1:	S-4:C-3:	C-4:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCO)	C(CH3)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCO)	C(CH3)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	121.5005	4.055	2	121.5005	16.445	2	121.5005	16.445	2	120.3442	17.709	5	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:1:	3:2:1:1:	S-4:C-3:	C[5]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[5]H)	C(C[5]C[6a]C[5]N[5])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[5]H)	C(C[5]C[6a]C[5]N[5])(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	120.3442	17.709	5	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:1:	3:2:1:1:	S-4:C-3:	C[6]-4:N-2:H-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6]H)	C(C[6]C[6]N[6]S)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6]H)	C(C[6]C[6]N[6]S)(NS)(H)	S(C[6a]C[6a]2)(NC)(O)2	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	120.3442	17.709	5	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:1:	3:2:1:1:	S-4:C-3:	C[6]-4:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CC[6]O)	C(C[6]C[6]N[6]H)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CC[6]O)	C(C[6]C[6]N[6]H)(NS)(O)	S(C[6a]C[6a]2)(NC)(O)2	125.3280	0.000	1	125.3280	0.000	1	125.3280	0.000	1	120.3442	17.709	5	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:1:	3:3:2:1:	S-4:C-3:	C-4:N-2:O-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(SC[6a]2O)(CCO)	C(CC[5a]HH)(NS)(O)	S(C[6a]C[6a]2)2(NC)(O)	N(SC[6a]2O)(CCO)	C(CC[5a]HH)(NS)(O)	S(C[6a]C[6a]2)2(NC)(O)	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:2:1:1:	S-4:C-3:	C-4:N-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NS)2	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NS)2	S(C[6a]C[6a]2)(NC)(O)2	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	123.4111	7.145	7	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:2:1:1:	S-4:C-3:	C-4:N-2:O-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCO)	C(CBrCH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCO)	C(CBrCH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	125.7920	0.000	1	125.7920	0.000	1	122.9556	9.490	5	123.4111	7.145	7	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:2:1:1:	S-4:C-3:	C-4:N-2:O-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCO)	C(CC[3]BrH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCO)	C(CC[3]BrH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	126.4870	0.000	1	126.4870	0.000	1	122.9556	9.490	5	123.4111	7.145	7	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:2:1:1:	S-4:C-3:	C-4:N-2:O-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCO)	C(CC[6a]HH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCO)	C(CC[6a]HH)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	121.6420	0.044	2	121.6420	0.002	2	122.9556	9.490	5	123.4111	7.145	7	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:2:1:1:	S-4:C-3:	C-4:N-2:O-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCO)	C(CH3)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCO)	C(CH3)(NS)(OC)	S(C[6a]C[6a]2)(NC)(O)2	119.2150	0.000	1	119.2150	0.000	1	122.9556	9.490	5	123.4111	7.145	7	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:2:1:1:	S-4:C-3:	C-4:N-2:S-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCS)	C(CC[6a]HH)(NS)(SC)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCS)	C(CC[6a]HH)(NS)(SC)	S(C[6a]C[6a]2)(NC)(O)2	123.7500	0.000	1	123.7500	0.000	1	123.7500	0.000	1	123.4111	7.145	7	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	3:4:2:1:	S-4:C-3:	C-4:N-2:N-2:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(CCN)	C(CC[6a]HH)(NS)2	S(C[6a]C[6a]2)(CH3)(NC)(O)	N(SC[6a]CO)(CCN)	C(CC[6a]HH)(NS)2	S(C[6a]C[6a]2)(CH3)(NC)(O)	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	4:2:1:1:	S-4:C-3:	C-4:N-2:O-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CCO)	C(CC[6a]CH)(NS)(OC)	S(CH3)(NC)(O)2	N(SCOO)(CCO)	C(CC[6a]CH)(NS)(OC)	S(CH3)(NC)(O)2	123.3040	0.000	1	123.3040	0.000	1	127.9710	43.562	2	127.9710	43.562	2	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:2:2:	4:2:1:1:	S-4:C-3:	C-4:N-2:O-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CCO)	C(CC[6a]CO)(NS)(OC)	S(CC3)(NC)(O)2	N(SCOO)(CCO)	C(CC[6a]CO)(NS)(OC)	S(CC3)(NC)(O)2	132.6380	0.000	1	132.6380	0.000	1	127.9710	43.562	2	127.9710	43.562	2	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	2:2:1:1:	S-4:C-3:	C-4:C-3:N-2:	N-2:O-2:O-1:O-1:	N(SO3)(CCC)	C(CCHO)(CCH)(NS)	S(NC)(OC)(O)2	N(SO3)(CCC)	C(CCHO)(CCH)(NS)	S(NC)(OC)(O)2	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	3:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CCCH)(NCS)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CCCH)(NCS)(NS)	S(C[6a]C[6a]2)(NC)(O)2	125.5730	0.000	1	125.5730	0.000	1	124.0268	4.103	6	123.6690	4.275	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	3:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]CH)(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]CH)(NC[6a]H)(NS)	S(C[6a]C[6a]2)(NC)(O)2	124.5440	0.112	2	124.5440	0.012	2	124.0268	4.103	6	123.6690	4.275	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	3:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NCC)(NS)	S(C[6a]C[6a]2)(NC)(O)2	122.8340	0.000	1	122.8340	0.000	1	124.0268	4.103	6	123.6690	4.275	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	3:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NC[6a]N)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NC[6a]N)(NS)	S(C[6a]C[6a]2)(NC)(O)2	126.0890	0.000	1	126.0890	0.000	1	124.0268	4.103	6	123.6690	4.275	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	3:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(CCN)	C(CH3)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	N(SC[6a]OO)(CCN)	C(CH3)(NCH)(NS)	S(C[6a]C[6a]2)(NC)(O)2	120.5770	0.000	1	120.5770	0.000	1	124.0268	4.103	6	123.6690	4.275	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	3:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	N-3:N-2:O-1:O-1:	N(SNOO)(CCN)	C(CCHH)(NHH)(NS)	S(NHH)(NC)(O)2	N(SNOO)(CCN)	C(CCHH)(NHH)(NS)	S(NHH)(NC)(O)2	122.5955	2.518	2	122.5955	6.340	2	122.5955	6.340	2	123.6690	4.275	8	121.8390	15.031	158	121.8390	15.031	158
941	930	952	0:SP2_SP2_SP3	N	C	S	4:3:	4:3:2:	4:2:1:1:	S-4:C-3:	C-4:N-3:N-2:	C-4:N-2:O-1:O-1:	N(SCOO)(CCN)	C(CC[6a]HH)(NC[6a]C)(NS)	S(CH3)(NC)(O)2	N(SCOO)(CCN)	C(CC[6a]HH)(NC[6a]C)(NS)	S(CH3)(NC)(O)2	124.3960	0.000	1	124.3960	0.000	1	124.3960	0.000	1	124.3960	0.000	1	121.8390	15.031	158	121.8390	15.031	158
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:1:1:	3:2:1:	C-3:N-3:	N-2:H-1:O-1:	C-3:N-2:H-1:	N(CHO)(NCH)	C(NN)(H)(O)	N(CNS)(NC)(H)	N(CHO)(NCH)	C(NN)(H)(O)	N(CNS)(NC)(H)	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	117.5005	13.287	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:1:1:	3:2:1:	N-3:C-3:	N-2:H-1:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CHH)	C(NN)(H)2	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CHH)	C(NN)(H)2	N(C[6a]C[6a]2)(NC)(H)	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	117.5005	13.287	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:1:1:	4:2:1:	C-3:N-3:	N-2:H-1:H-1:	P-4:N-2:H-1:	N(CHH)(NHP)	C(NN)(H)2	N(PC[6]Fe2)(NC)(H)	N(CHH)(NHP)	C(NN)(H)2	N(PC[6]Fe2)(NC)(H)	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:1:1:	4:4:2:	C-3:N-3:	N-2:H-1:H-1:	C-4:P-4:N-2:	N(CHH)(NCP)	C(NN)(H)2	N(CHHN)(PCCN)(NC)	N(CHH)(NCP)	C(NN)(H)2	N(CHHN)(PCCN)(NC)	119.1070	0.000	1	119.1070	0.000	1	119.1070	0.000	1	119.1070	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:1:	2:1:1:	C-3:N-3:	N-2:N-2:O-1:	N-2:O-1:O-1:	N(CNO)(NOO)	C(NN)2(O)	N(NC)(O)2	N(CNO)(NOO)	C(NN)2(O)	N(NC)(O)2	117.0050	0.813	3	117.0050	0.661	3	117.0050	0.661	3	118.5995	15.210	8	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:1:	2:1:1:	C-3:N-3:	N-2:O-2:O-1:	N-2:O-1:O-1:	N(COO)(NOO)	C(NN)(OC)(O)	N(NC)(O)2	N(COO)(NOO)	C(NN)(OC)(O)	N(NC)(O)2	119.5562	4.820	5	119.5562	23.236	5	119.5562	23.236	5	118.5995	15.210	8	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:1:	3:2:1:	C-3:N-3:	N-2:S-2:S-1:	C-3:N-2:H-1:	N(CSS)(NCH)	C(NN)(SC)(S)	N(CC[6a]O)(NC)(H)	N(CSS)(NCH)	C(NN)(SC)(S)	N(CC[6a]O)(NC)(H)	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:1:	4:3:2:	N-3:C-3:	N-2:O-2:O-1:	C[5]-4:C-3:N-2:	N(NC[5]C)(COO)	C(NN)(OC)(O)	N(C[5]C[5]2H)(COO)(NC)	N(NC[5]C)(COO)	C(NN)(OC)(O)	N(C[5]C[5]2H)(COO)(NC)	117.5560	0.000	1	117.5560	0.000	1	117.5560	0.000	1	118.4335	1.540	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:1:	4:3:2:	N-3:C-3:	N-2:O-2:O-1:	P[4]-4:C-3:N-2:	N(NP[4]C)(COO)	C(NN)(OC)(O)	N(P[4]N[4]2N)(COO)(NC)	N(NP[4]C)(COO)	C(NN)(OC)(O)	N(P[4]N[4]2N)(COO)(NC)	119.3110	0.000	1	119.3110	0.000	1	119.3110	0.000	1	118.4335	1.540	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:1:	4:4:2:	C-3:N-3:	O-2:N-2:H-1:	C-4:C-4:N-2:	N(CHO)(NCC)	C(OSi[6])(NN)(H)	N(CH3)2(NC)	N(CHO)(NCC)	C(OSi[6])(NN)(H)	N(CH3)2(NC)	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	C-3:N-3:	N-2:S-2:S-2:	C-3:N-2:H-1:	N(CSS)(NCH)	C(NN)(SC)2	N(CC[5a]O)(NC)(H)	N(CSS)(NCH)	C(NN)(SC)2	N(CC[5a]O)(NC)(H)	114.0530	0.000	1	114.0530	0.000	1	115.4196	3.073	12	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	C-3:N-3:	N-2:S-2:S-2:	C-3:N-2:H-1:	N(CSS)(NCH)	C(NN)(SC)2	N(CC[6a]O)(NC)(H)	N(CSS)(NCH)	C(NN)(SC)2	N(CC[6a]O)(NC)(H)	115.5438	1.782	11	115.5438	3.177	11	115.4196	3.073	12	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	N-3:C-3:	C-2:C-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CN)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CN)2(NN)	N(C[6a]C[6a]2)(NC)(H)	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	N-3:C-3:	C-2:N-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCN)	C(CN)(NN)2	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCN)	C(CN)(NN)2	N(C[6a]C[6a]2)(NC)(H)	116.8480	0.659	2	116.8480	0.434	2	116.8480	0.434	2	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	N-3:C-3:	N-2:N-2:S-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CNS)	C(NN)2(SS)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNS)	C(NN)2(SS)	N(C[6a]C[6a]2)(NC)(H)	118.4435	1.276	2	118.4435	1.629	2	118.4435	1.629	2	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	N-3:C-3:	S-2:N-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CNS)	C(SRu)(NN)2	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNS)	C(SRu)(NN)2	N(C[6a]C[6a]2)(NC)(H)	115.5710	0.000	1	115.5710	0.000	1	116.6103	1.441	3	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:2:1:	N-3:C-3:	S-2:N-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CNS)	C(SSn)(NN)2	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNS)	C(SSn)(NN)2	N(C[6a]C[6a]2)(NC)(H)	117.1300	1.123	2	117.1300	1.261	2	116.6103	1.441	3	116.3091	4.094	20	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:2:2:	3:4:2:	C-3:N-3:	N-2:S-2:S-2:	C-3:C-4:N-2:	N(CSS)(NCC)	C(NN)(SC)2	N(CC[6a]O)(CH3)(NC)	N(CSS)(NCC)	C(NN)(SC)2	N(CC[6a]O)(CH3)(NC)	112.0175	0.081	2	112.0175	0.007	2	112.0175	0.007	2	112.0175	0.007	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	2:3:2:	2:1:1:	C-3:N-3:	N-2:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NC[6a])(NHH)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NC[6a])(NHH)(NN)	N(NC)(O)2	120.0440	0.211	3	120.0440	0.044	3	120.0440	0.044	3	120.0440	0.044	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C-3:N-2:S-1:	N-2:H-1:H-1:	N(CCS)(NHH)	C(CNN)(NN)(S)	N(NC)(H)2	N(CCS)(NHH)	C(CNN)(NN)(S)	N(NC)(H)2	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	117.8000	3.330	10	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	N-2:H-1:H-1:	N(CC[6a]H)(NHH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(NC)(H)2	N(CC[6a]H)(NHH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(NC)(H)2	117.7020	0.000	1	117.7020	0.000	1	117.3903	1.063	6	117.8000	3.330	10	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	N-2:H-1:H-1:	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	N(NC)(H)2	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	N(NC)(H)2	117.3855	1.308	4	117.3855	1.710	4	117.3903	1.063	6	117.8000	3.330	10	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	N-2:H-1:H-1:	N(CC[6a]H)(NHH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(NC)(H)2	N(CC[6a]H)(NHH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(NC)(H)2	117.0980	0.000	1	117.0980	0.000	1	117.3903	1.063	6	117.8000	3.330	10	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C[6a]-3:N-2:O-1:	N-2:H-1:H-1:	N(CC[6a]O)(NHH)	C(C[6a]C[6a]2)(NN)(O)	N(NC)(H)2	N(CC[6a]O)(NHH)	C(C[6a]C[6a]2)(NN)(O)	N(NC)(H)2	122.2090	0.000	1	122.2090	0.000	1	122.2090	0.000	1	117.8000	3.330	10	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	N-3:N-2:O-1:	N-2:O-1:O-1:	N(CNO)(NOO)	C(NHN)(NN)(O)	N(NC)(O)2	N(CNO)(NOO)	C(NHN)(NN)(O)	N(NC)(O)2	117.6620	1.168	2	117.6620	1.365	2	117.6620	1.365	2	117.8000	3.330	10	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	2:2:1:	C-3:N-3:	C[6]-3:N-2:O-1:	N-2:N-2:O-1:	N(CC[6]O)(NNO)	C(C[6]C[6]2)(NN)(O)	N(NC)(NO)(O)	N(CC[6]O)(NNO)	C(C[6]C[6]2)(NN)(O)	N(NC)(NO)(O)	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCC)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	C(CCC)(NN)(H)	N(CC[6a]O)(NC)(H)	113.0687	1.008	3	113.0687	1.016	3	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCC)(NN)(H)	N(CNO)(NC)(H)	N(CCH)(NCH)	C(CCC)(NN)(H)	N(CNO)(NC)(H)	116.2190	0.112	2	116.2190	0.012	2	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCC)(NN)(H)	N(CNS)(NC)(H)	N(CCH)(NCH)	C(CCC)(NN)(H)	N(CNS)(NC)(H)	116.1090	0.000	1	116.1090	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCC)(NN)(H)	N(COO)(NC)(H)	N(CCH)(NCH)	C(CCC)(NN)(H)	N(COO)(NC)(H)	115.1010	0.000	1	115.1010	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CCO)(NC)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CCO)(NC)(H)	116.0240	0.000	1	116.0240	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CC[6a]O)(NC)(H)	114.0049	2.254	8	114.0049	5.079	8	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CNS)(NC)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CNS)(NC)(H)	116.2320	0.000	1	116.2320	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CO[3x4]O)(NC)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CO[3x4]O)(NC)(H)	114.7820	0.000	1	114.7820	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CSS)(NC)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CSS)(NC)(H)	114.5176	0.435	5	114.5176	0.189	5	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CC[6a]C)(NN)(H)	N(CNS)(NC)(H)	N(CCH)(NCH)	C(CC[6a]C)(NN)(H)	N(CNS)(NC)(H)	117.9210	0.000	1	117.9210	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CC[6a]N)(NN)(H)	N(CC[5a]O)(NC)(H)	N(CCH)(NCH)	C(CC[6a]N)(NN)(H)	N(CC[5a]O)(NC)(H)	115.3530	0.000	1	115.3530	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CHN)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	C(CHN)(NN)(H)	N(CC[6a]O)(NC)(H)	116.3820	0.000	1	116.3820	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CHN)(NN)(H)	N(CSS)(NC)(H)	N(CCH)(NCH)	C(CHN)(NN)(H)	N(CSS)(NC)(H)	115.6010	0.000	1	115.6010	0.000	1	114.8065	2.899	27	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5]H)(NCH)	C(C[5]C[5,6]C[5])(NN)(H)	N(CNO)(NC)(H)	N(CC[5]H)(NCH)	C(C[5]C[5,6]C[5])(NN)(H)	N(CNO)(NC)(H)	115.3840	0.000	1	115.3840	0.000	1	115.7155	0.626	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5]H)(NCH)	C(C[5]C[5]N[5])(NN)(H)	N(CNN)(NC)(H)	N(CC[5]H)(NCH)	C(C[5]C[5]N[5])(NN)(H)	N(CNN)(NC)(H)	115.5462	0.590	5	115.5462	0.348	5	115.7155	0.626	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5]H)(NCH)	C(C[5]N[5]2)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[5]H)(NCH)	C(C[5]N[5]2)(NN)(H)	N(CC[6a]O)(NC)(H)	115.2940	0.000	1	115.2940	0.000	1	115.7155	0.626	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5]H)(NCH)	C(C[5]N[5]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[5]H)(NCH)	C(C[5]N[5]2)(NN)(H)	N(CNS)(NC)(H)	117.3150	0.000	1	117.3150	0.000	1	115.7155	0.626	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5]-3:N-2:H-1:	C[5]-3:N-2:H-1:	N(CC[5]H)(NC[5]H)	C(C[5]C[5]N[5])(NN)(H)	N(C[5]N[5]2)(NC)(H)	N(CC[5]H)(NC[5]H)	C(C[5]C[5]N[5])(NN)(H)	N(C[5]N[5]2)(NC)(H)	114.5927	0.618	3	114.5927	0.382	3	114.5927	0.382	3	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CCO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CCO)(NC)(H)	112.7420	0.957	3	112.7420	0.916	3	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	114.4141	1.222	14	114.4141	1.494	14	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNN)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNN)(NC)(H)	115.0725	0.960	2	115.0725	0.921	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNO)(NC)(H)	116.2500	0.000	1	116.2500	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CNS)(NC)(H)	114.3547	1.727	7	114.3547	2.983	7	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(COO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(COO)(NC)(H)	114.4375	0.862	2	114.4375	0.743	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CSS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CSS)(NC)(H)	115.4180	0.559	2	115.4180	0.312	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]2)(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]2)(NN)(H)	N(CC[5a]O)(NC)(H)	114.1325	1.596	2	114.1325	2.547	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	115.5162	1.859	5	115.5162	3.455	5	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]2)(NN)(H)	N(CNS)(NC)(H)	114.5850	0.000	1	114.5850	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[3x6]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[3x6]O)(NC)(H)	117.5665	1.001	2	117.5665	1.001	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]O)(NC)(H)	116.7030	0.000	1	116.7030	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	115.2631	1.037	7	115.2631	1.075	7	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CNO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CNO)(NC)(H)	115.2310	1.356	2	115.2310	1.839	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CNS)(NC)(H)	114.5615	1.578	2	114.5615	2.489	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CSS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CSS)(NC)(H)	113.9420	0.000	1	113.9420	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CCO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CCO)(NC)(H)	114.5962	0.744	4	114.5962	0.553	4	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]O)(NC)(H)	115.4240	1.237	3	115.4240	1.531	3	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[6]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[6]O)(NC)(H)	113.6400	0.000	1	113.6400	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	115.3385	1.245	15	115.3385	1.550	15	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CHO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CHO)(NC)(H)	114.8150	0.000	1	114.8150	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CNO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CNO)(NC)(H)	116.1156	0.953	13	116.1156	0.909	13	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CNS)(NC)(H)	115.5753	1.093	3	115.5753	1.194	3	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(COO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(COO)(NC)(H)	115.3712	0.378	5	115.3712	0.143	5	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CSS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CSS)(NC)(H)	114.7540	0.226	2	114.7540	0.051	2	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CCO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CCO)(NC)(H)	115.0880	0.000	1	115.0880	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]O)(NC)(H)	116.3533	4.089	3	116.3533	16.722	3	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[6]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[6]O)(NC)(H)	114.9600	0.000	1	114.9600	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[6a]O)(NC)(H)	114.4161	0.804	8	114.4161	0.646	8	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CNO)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CNO)(NC)(H)	115.4240	0.000	1	115.4240	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CNS)(NC)(H)	115.3765	0.332	4	115.3765	0.110	4	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[5a]H)(NCH)	C(C[5a]N[5a]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[5a]H)(NCH)	C(C[5a]N[5a]2)(NN)(H)	N(CNS)(NC)(H)	117.4300	0.000	1	117.4300	0.000	1	115.1152	1.939	120	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[5]-3:N-2:H-1:	N(CC[5a]H)(NC[5]H)	C(C[5a]N[5a,6a]C[5a])(NN)(H)	N(C[5]N[5]S[5])(NC)(H)	N(CC[5a]H)(NC[5]H)	C(C[5a]N[5a,6a]C[5a])(NN)(H)	N(C[5]N[5]S[5])(NC)(H)	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.2880	0.000	1	116.2880	0.000	1	117.0091	1.372	16	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	117.2694	1.123	5	117.2694	1.261	5	117.0091	1.372	16	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]N[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]N[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.7240	0.000	1	116.7240	0.000	1	117.0091	1.372	16	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]N[5a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]N[5a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	119.1400	0.000	1	119.1400	0.000	1	117.0091	1.372	16	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]O[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]O[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.7990	0.000	1	115.7990	0.000	1	117.0091	1.372	16	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.8353	1.182	7	116.8353	1.397	7	117.0091	1.372	16	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:O-1:	C-3:N-2:H-1:	N(CC[5a]O)(NCH)	C(C[5a]C[5a]N[5a])(NN)(O)	N(CCO)(NC)(H)	N(CC[5a]O)(NCH)	C(C[5a]C[5a]N[5a])(NN)(O)	N(CCO)(NC)(H)	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CC[5a]O)(NC)(H)	114.8977	1.022	3	114.8977	1.045	3	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CC[6]O)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CC[6]O)(NC)(H)	116.7742	0.919	4	116.7742	0.844	4	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CC[6a]O)(NC)(H)	115.7320	0.749	4	115.7320	0.561	4	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CNN)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CNN)(NC)(H)	115.8770	0.512	2	115.8770	0.262	2	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CNO)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CNO)(NC)(H)	116.8906	1.005	9	116.8906	1.010	9	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	N(CNS)(NC)(H)	116.3277	0.527	3	116.3277	0.278	3	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CC[6a]O)(NC)(H)	117.9520	0.641	3	117.9520	0.411	3	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CNN)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CNN)(NC)(H)	117.7000	0.000	1	117.7000	0.000	1	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CNO)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CNO)(NC)(H)	117.5987	1.154	6	117.5987	1.332	6	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CNS)(NC)(H)	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	N(CNS)(NC)(H)	118.1850	1.040	4	118.1850	1.081	4	116.8553	1.578	39	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CNS)(NC)(H)	113.6943	0.156	3	113.6943	0.024	3	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CSS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CSS)(NC)(H)	116.7905	0.070	2	116.7905	0.005	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CCO)(NC)(H)	115.2515	0.735	6	115.2515	0.541	6	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	118.9450	0.000	1	118.9450	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CNS)(NC)(H)	115.4560	0.000	1	115.4560	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6]O)(NC)(H)	115.5150	0.000	1	115.5150	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	115.9790	0.000	1	115.9790	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CNS)(NC)(H)	114.7270	1.435	10	114.7270	2.059	10	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[5a]O)(NC)(H)	116.1770	0.765	2	116.1770	0.585	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6]O)(NC)(H)	119.2280	0.000	1	119.2280	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	115.8299	1.778	36	115.8299	3.163	36	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CNN)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CNN)(NC)(H)	114.6480	1.058	2	114.6480	1.119	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CNO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CNO)(NC)(H)	118.9499	1.542	8	118.9499	2.379	8	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CNS)(NC)(H)	115.4839	0.850	8	115.4839	0.723	8	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(COO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(COO)(NC)(H)	114.7280	0.000	1	114.7280	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CSS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CSS)(NC)(H)	116.1760	1.096	2	116.1760	1.201	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CSeN)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CSeN)(NC)(H)	116.2140	0.000	1	116.2140	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CCN)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CCN)(NC)(H)	113.9310	0.000	1	113.9310	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)(H)	115.4591	1.234	111	115.4591	1.522	111	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5]O)(NC)(H)	116.1905	1.402	2	116.1905	1.966	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5a]O)(NC)(H)	115.7131	1.379	52	115.7131	1.902	52	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]C)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]C)(NC)(H)	114.7610	0.000	1	114.7610	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6]O)(NC)(H)	116.9578	2.022	33	116.9578	4.089	33	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	116.0016	1.720	634	116.0016	2.959	634	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNN)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNN)(NC)(H)	115.5592	1.349	36	115.5592	1.820	36	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNO)(NC)(H)	116.3158	1.578	37	116.3158	2.491	37	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNS)(NC)(H)	116.0135	1.247	159	116.0135	1.555	159	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CN[6]S)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CN[6]S)(NC)(H)	118.6140	0.000	1	118.6140	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(COO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(COO)(NC)(H)	115.6699	1.102	42	115.6699	1.214	42	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CSS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CSS)(NC)(H)	115.5158	1.016	32	115.5158	1.033	32	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CCO)(NC)(H)	114.8285	0.715	2	114.8285	0.511	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[5a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[5a]O)(NC)(H)	116.1535	0.220	2	116.1535	0.048	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	116.0509	1.089	39	116.0509	1.186	39	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CHO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CHO)(NC)(H)	115.4230	0.771	2	115.4230	0.594	2	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CNO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CNO)(NC)(H)	117.1481	1.698	8	117.1481	2.884	8	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CNS)(NC)(H)	115.8499	1.318	13	115.8499	1.738	13	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CN[6]S)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CN[6]S)(NC)(H)	114.6060	0.000	1	114.6060	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CSeN)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CSeN)(NC)(H)	117.0040	0.000	1	117.0040	0.000	1	115.9416	2.508	1295	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5]-3:N-2:H-1:	N(CC[6a]H)(NC[5]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5]N[5]2)(NC)(H)	N(CC[6a]H)(NC[5]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5]N[5]2)(NC)(H)	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]C[5a]N[5a])(NC)(H)	116.2765	0.093	2	116.2765	0.009	2	116.9998	1.899	17	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]N[5a]2)(NC)(H)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]N[5a]2)(NC)(H)	114.7410	0.000	1	114.7410	0.000	1	116.9998	1.899	17	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]N[5a]S[5a])(NC)(H)	117.2208	1.381	13	117.2208	1.909	13	116.9998	1.899	17	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[5a]N[5a]S[5a])(NC)(H)	117.8330	0.000	1	117.8330	0.000	1	116.9998	1.899	17	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]C[6])(NC)(H)	115.0418	0.591	6	115.0418	0.349	6	115.2968	0.476	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)(H)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)(H)	115.9560	0.000	1	115.9560	0.000	1	115.2968	0.476	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6]-3:N-2:H-1:	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]N[6]2)(NC)(H)	N(CC[6a]H)(NC[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]N[6]2)(NC)(H)	116.1670	0.000	1	116.1670	0.000	1	115.2968	0.476	8	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	115.9850	0.000	1	115.9850	0.000	1	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	116.8320	1.209	2	116.8320	1.462	2	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.2350	0.585	2	115.2350	0.343	2	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[5a,6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[5a,6a]N[6a])(NC)(H)	117.4540	0.000	1	117.4540	0.000	1	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	115.7331	0.862	7	115.7331	0.743	7	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.5904	1.214	102	116.5904	1.474	102	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	116.2720	1.115	23	116.2720	1.242	23	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]N[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]N[6a]2)(NC)(H)	115.7635	0.248	2	115.7635	0.062	2	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.5768	0.874	12	116.5768	0.764	12	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	118.2230	0.540	2	118.2230	0.292	2	116.5005	1.366	154	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:O-1:	C-3:N-2:H-1:	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(O)	N(CNS)(NC)(H)	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(O)	N(CNS)(NC)(H)	111.0560	2.036	4	111.0560	4.146	4	111.0560	4.146	4	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:O-1:	C[5]-3:N-2:H-1:	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	N(C[5]C[5,6a]C[5])(NC)(H)	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	N(C[5]C[5,6a]C[5])(NC)(H)	109.7110	0.000	1	109.7110	0.000	1	109.1905	0.542	2	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:O-1:	C[5]-3:N-2:H-1:	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	N(C[5]N[5]2)(NC)(H)	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	N(C[5]N[5]2)(NC)(H)	108.6700	0.000	1	108.6700	0.000	1	109.1905	0.542	2	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	N-3:N-2:S-1:	C-3:N-2:H-1:	N(CNS)(NCH)	C(NHH)(NN)(S)	N(CNS)(NC)(H)	N(CNS)(NCH)	C(NHH)(NN)(S)	N(CNS)(NC)(H)	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	N[6]-3:N-2:S-1:	C-3:N-2:H-1:	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N(CC[6a]C)(NC)(H)	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N(CC[6a]C)(NC)(H)	111.9600	0.197	3	111.9600	0.039	3	112.3052	1.373	6	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	N[6]-3:N-2:S-1:	C-3:N-2:H-1:	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N(CC[6a]N)(NC)(H)	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N(CC[6a]N)(NC)(H)	112.6503	1.743	3	112.6503	3.037	3	112.3052	1.373	6	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	N[6]-3:N-2:Se-1:	C-3:N-2:H-1:	N(CN[6]Se)(NCH)	C(N[6]C[6]2)(NN)(Se)	N(CC[6a]C)(NC)(H)	N(CN[6]Se)(NCH)	C(N[6]C[6]2)(NN)(Se)	N(CC[6a]C)(NC)(H)	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:Cl-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CClC)	C(CCN)(NN)(Cl)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CClC)	C(CCN)(NN)(Cl)	N(C[6a]C[6a]2)(NC)(H)	119.1485	0.360	2	119.1485	0.130	2	120.9563	1.027	12	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:Cl-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CClC)	C(CCO)(NN)(Cl)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CClC)	C(CCO)(NN)(Cl)	N(C[6a]C[6a]2)(NC)(H)	121.4195	0.438	6	121.4195	0.192	6	120.9563	1.027	12	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:Cl-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CClC)	C(COO)(NN)(Cl)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CClC)	C(COO)(NN)(Cl)	N(C[6a]C[6a]2)(NC)(H)	121.1655	0.858	4	121.1655	0.737	4	120.9563	1.027	12	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:H-1:	C[6]-3:N-2:H-1:	N(NC[6]H)(CCH)	C(CCH)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)(H)	N(NC[6]H)(CCH)	C(CCH)(NN)(H)	N(C[6]C[6,6a]N[6])(NC)(H)	115.7200	1.110	2	115.7200	1.232	2	115.7200	1.232	2	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCC)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCC)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	117.0830	0.000	1	117.0830	0.000	1	116.3904	1.535	9	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.6497	1.459	4	115.6497	2.128	4	116.3904	1.535	9	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCI)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCI)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.0010	0.000	1	116.0010	0.000	1	116.3904	1.535	9	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCN)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCN)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.6830	0.000	1	116.6830	0.000	1	116.3904	1.535	9	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CHO)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CHO)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	117.5740	0.426	2	117.5740	0.181	2	116.3904	1.535	9	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C[5]-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(NC[5a]H)(CC[5]H)	C(C[5]C[5]N[5])(NN)(H)	N(C[5a]N[5a]2)(NC)(H)	N(NC[5a]H)(CC[5]H)	C(C[5]C[5]N[5])(NN)(H)	N(C[5a]N[5a]2)(NC)(H)	117.1405	1.370	2	117.1405	1.876	2	117.1405	1.876	2	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C[5]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]H)	C(C[5]C[5,5]C[5])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]H)	C(C[5]C[5,5]C[5])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	118.3630	0.000	1	118.3630	0.000	1	118.3820	0.001	2	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C[5]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]H)	C(C[5]C[5]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]H)	C(C[5]C[5]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	118.4010	0.000	1	118.4010	0.000	1	118.3820	0.001	2	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C[6]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	114.7420	1.130	2	114.7420	1.277	2	116.2724	2.580	5	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:1:	N-3:C-3:	C[6]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	117.2927	0.786	3	117.2927	0.617	3	116.2724	2.580	5	115.9594	2.761	1736	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:2:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:S-2:	N(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)(SS)	N(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)(SS)	119.5055	0.456	2	119.5055	0.208	2	119.5055	0.208	2	119.5055	0.208	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C-3:N-2:H-1:	B-3:P-3:N-2:	N(CCH)(NBP)	C(COO)(NN)(H)	N(BC[6a]2)(PC[6a]2)(NC)	N(CCH)(NBP)	C(COO)(NN)(H)	N(BC[6a]2)(PC[6a]2)(NC)	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[5a]H)(NC[6a]C)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)(CC[5a]N)(NC)	N(CC[5a]H)(NC[6a]C)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)(CC[5a]N)(NC)	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[5a]H)(NC[6a]2)	C(C[5a]C[5a]O[5a])(NN)(H)	N(C[6a]C[6a]2)2(NC)	N(CC[5a]H)(NC[6a]2)	C(C[5a]C[5a]O[5a])(NN)(H)	N(C[6a]C[6a]2)2(NC)	119.5410	0.000	1	119.5410	0.000	1	119.5883	0.558	4	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[5a]H)(NC[6a]2)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)2(NC)	N(CC[5a]H)(NC[6a]2)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)2(NC)	119.1055	0.424	2	119.1055	0.179	2	119.5883	0.558	4	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[5a]H)(NC[6a]2)	C(C[5a]N[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)2(NC)	N(CC[5a]H)(NC[6a]2)	C(C[5a]N[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)2(NC)	120.6010	0.000	1	120.6010	0.000	1	119.5883	0.558	4	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(CCN)(NC)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(CCN)(NC)	117.3290	0.000	1	117.3290	0.000	1	118.4038	1.350	5	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:N-2:	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(CCO)(NC)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(CCO)(NC)	118.6725	1.148	4	118.6725	1.319	4	118.4038	1.350	5	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(CC[6a]H)(NC[6a]2)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)2(NC)	N(CC[6a]H)(NC[6a]2)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)2(NC)	120.1682	0.487	10	120.1682	0.237	10	120.1682	0.237	10	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	N(NC[6a]C)(CCH)	C(CCN)(NN)(H)	N(C[6a]C[6a]2)(COO)(NC)	N(NC[6a]C)(CCH)	C(CCN)(NN)(H)	N(C[6a]C[6a]2)(COO)(NC)	117.1850	0.000	1	117.1850	0.000	1	117.1850	0.000	1	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:3:2:	N-3:C-3:	C-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:	N(NC[6a]2)(CCH)	C(CHN)(NN)(H)	N(C[6a]C[6a]2)2(NC)	N(NC[6a]2)(CCH)	C(CHN)(NN)(H)	N(C[6a]C[6a]2)2(NC)	118.9280	0.000	1	118.9280	0.000	1	118.9280	0.000	1	119.2360	1.842	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C-3:N-2:H-1:	C-3:C-4:N-2:	N(CCH)(NCC)	C(COO)(NN)(H)	N(CC[6a]O)(CCHH)(NC)	N(CCH)(NCC)	C(COO)(NN)(H)	N(CC[6a]O)(CCHH)(NC)	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[5]-3:N-2:H-1:	C[6]-3:C-4:N-2:	N(CC[5]H)(NC[6]C)	C(C[5]N[5]2)(NN)(H)	N(C[6]C[6]N[6])(CH3)(NC)	N(CC[5]H)(NC[6]C)	C(C[5]N[5]2)(NN)(H)	N(C[6]C[6]N[6])(CH3)(NC)	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-4:N-2:	N(CC[5a]H)(NC[5a]C)	C(C[5a]N[5a]2)(NN)(H)	N(C[5a]N[5a]2)(CH3)(NC)	N(CC[5a]H)(NC[5a]C)	C(C[5a]N[5a]2)(NN)(H)	N(C[5a]N[5a]2)(CH3)(NC)	119.4483	0.646	6	119.4483	0.418	6	119.4483	0.418	6	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[5a]H)(NC[6a]C)	C(C[5a]C[5a]N[5a])(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[5a]H)(NC[6a]C)	C(C[5a]C[5a]N[5a])(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	119.5545	1.147	4	119.5545	1.316	4	119.5545	1.316	4	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:C-4:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5]O)(CH3)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[5]O)(CH3)(NC)	117.8688	0.671	4	117.8688	0.450	4	118.2540	0.623	9	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:C-4:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(CH3)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(CH3)(NC)	118.5622	0.801	5	118.5622	0.642	5	118.2540	0.623	9	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5]-3:C-4:N-2:	N(CC[6a]H)(NC[5]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[5]N[5]2)(CH3)(NC)	N(CC[6a]H)(NC[5]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[5]N[5]2)(CH3)(NC)	117.0648	0.527	4	117.0648	0.278	4	117.0648	0.278	4	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6]-3:C-4:N-2:	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6]C[6]N[6])(CH3)(NC)	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6]C[6]N[6])(CH3)(NC)	120.2633	0.319	3	120.2633	0.102	3	120.2633	0.102	3	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(C[6a]C[6a]2)(CH3)(NC)	120.4970	0.247	2	120.4970	0.061	2	119.8470	0.962	9	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	119.7707	0.579	3	119.7707	0.336	3	119.8470	0.962	9	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	N(CC[6a]H)(NC[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	119.5793	1.392	4	119.5793	1.938	4	119.8470	0.962	9	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	C-3:N-3:	N-3:N-2:H-1:	C-3:C-4:N-2:	N(CHN)(NCC)	C(NC[6a]H)(NN)(H)	N(CC[6a]O)(CH3)(NC)	N(CHN)(NCC)	C(NC[6a]H)(NN)(H)	N(CC[6a]O)(CH3)(NC)	117.8220	0.236	2	117.8220	0.056	2	117.8220	0.056	2	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	N-3:C-3:	C[5]-3:N-2:H-1:	C[5a]-3:C-4:N-2:	N(NC[5a]C)(CC[5]H)	C(C[5]C[5]N[5])(NN)(H)	N(C[5a]N[5a]2)(CH3)(NC)	N(NC[5a]C)(CC[5]H)	C(C[5]C[5]N[5])(NN)(H)	N(C[5a]N[5a]2)(CH3)(NC)	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	3:4:2:	N-3:C-3:	C[5]-3:N-2:H-1:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(CC[5]H)	C(C[5]C[5]P[5])(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	N(NC[6a]C)(CC[5]H)	C(C[5]C[5]P[5])(NN)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	119.0363	1.449	41	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C-3:N-2:Br-1:	C-4:N-2:H-1:	N(CBrC)(NCH)	C(COO)(NN)(Br)	N(CC[6a]HH)(NC)(H)	N(CBrC)(NCH)	C(COO)(NN)(Br)	N(CC[6a]HH)(NC)(H)	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C-3:N-2:H-1:	P-4:N-2:H-1:	N(CCH)(NHP)	C(COO)(NN)(H)	N(PC3)(NC)(H)	N(CCH)(NHP)	C(COO)(NN)(H)	N(PC3)(NC)(H)	117.9090	0.000	1	117.9090	0.000	1	117.9090	0.000	1	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C-3:N-2:H-1:	S-4:N-2:H-1:	N(CCH)(NHS)	C(CCH)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	C(CCH)(NN)(H)	N(SC[6a]OO)(NC)(H)	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[5a]H)(NHS)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(SC[6a]OO)(NC)(H)	114.6620	1.130	2	114.6620	1.277	2	114.6620	1.277	2	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	P-4:N-2:H-1:	N(CC[6a]H)(NHP)	C(C[6a]C[6a]2)(NN)(H)	N(PC[6]3)(NC)(H)	N(CC[6a]H)(NHP)	C(C[6a]C[6a]2)(NN)(H)	N(PC[6]3)(NC)(H)	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	P[6]-4:N-2:H-1:	N(CC[6a]H)(NP[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(P[6]O[6]2O)(NC)(H)	N(CC[6a]H)(NP[6]H)	C(C[6a]C[6a]2)(NN)(H)	N(P[6]O[6]2O)(NC)(H)	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(SC[6a]OO)(NC)(H)	117.6650	0.000	1	117.6650	0.000	1	116.4219	3.395	15	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	N(SC[6a]OO)(NC)(H)	116.3331	1.879	14	116.3331	3.529	14	116.4219	3.395	15	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	Si-4:N-2:H-1:	N(CC[6a]H)(NSiH)	C(C[6a]C[6a]2)(NN)(H)	N(SiC3)(NC)(H)	N(CC[6a]H)(NSiH)	C(C[6a]C[6a]2)(NN)(H)	N(SiC3)(NC)(H)	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	116.4882	4.198	23	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[5a]H)(NCC)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CH3)(CSS)(NC)	N(CC[5a]H)(NCC)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CH3)(CSS)(NC)	118.1150	0.000	1	118.1150	0.000	1	118.1150	0.000	1	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CH3)(CNS)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CH3)(CNS)(NC)	121.4120	0.000	1	121.4120	0.000	1	119.3285	1.252	12	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CCHH)(CCO)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CCHH)(CCO)(NC)	119.1663	0.279	3	119.1663	0.078	3	119.3285	1.252	12	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CCO)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CCO)(NC)	118.8134	1.354	5	118.8134	1.833	5	119.3285	1.252	12	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CNO)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CNO)(NC)	119.6190	0.000	1	119.6190	0.000	1	119.3285	1.252	12	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CNS)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CNS)(NC)	119.3460	0.000	1	119.3460	0.000	1	119.3285	1.252	12	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:3:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-3:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CSS)(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(CSS)(NC)	119.9990	0.000	1	119.9990	0.000	1	119.3285	1.252	12	119.2352	1.261	13	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C-3:N-2:H-1:	C-4:C-4:N-2:	N(CCH)(NCC)	C(CCH)(NN)(H)	N(CC[6a]HH)2(NC)	N(CCH)(NCC)	C(CCH)(NN)(H)	N(CC[6a]HH)2(NC)	120.4170	0.000	1	120.4170	0.000	1	120.7913	0.107	3	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C-3:N-2:H-1:	C-4:C-4:N-2:	N(CCH)(NCC)	C(CCO)(NN)(H)	N(CH3)2(NC)	N(CCH)(NCC)	C(CCO)(NN)(H)	N(CH3)2(NC)	120.9390	0.000	1	120.9390	0.000	1	120.7913	0.107	3	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C-3:N-2:H-1:	C-4:C-4:N-2:	N(CCH)(NCC)	C(CHN)(NN)(H)	N(CCHH)2(NC)	N(CCH)(NCC)	C(CHN)(NN)(H)	N(CCHH)2(NC)	121.0180	0.000	1	121.0180	0.000	1	120.7913	0.107	3	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C-3:N-2:H-1:	S-4:C-4:N-2:	N(CCH)(NCS)	C(CC[6a]C)(NN)(H)	N(SC[6a]OO)(CCHH)(NC)	N(CCH)(NCS)	C(CC[6a]C)(NN)(H)	N(SC[6a]OO)(CCHH)(NC)	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-4:C-4:N-2:	N(CC[5a]H)(NCC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CCCH)(CH3)(NC)	N(CC[5a]H)(NCC)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CCCH)(CH3)(NC)	122.4530	0.000	1	122.4530	0.000	1	121.2455	2.916	2	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[5a]-3:N-2:H-1:	C-4:C-4:N-2:	N(CC[5a]H)(NCC)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[6a]HH)2(NC)	N(CC[5a]H)(NCC)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[6a]HH)2(NC)	120.0380	0.000	1	120.0380	0.000	1	121.2455	2.916	2	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-4:N-2:	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)2(NC)	N(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)2(NC)	120.1507	1.232	3	120.1507	1.517	3	120.1507	1.517	3	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:P-4:N-2:	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(PO3)(NC)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(CH3)(PO3)(NC)	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-4:S-4:N-2:	N(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]CH)(SC[6a]OO)(NC)	N(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]CH)(SC[6a]OO)(NC)	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	P-4:C-4:N-2:	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(PC[6a]NO)(CH3)(NC)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(PC[6a]NO)(CH3)(NC)	117.8840	0.000	1	117.8840	0.000	1	119.2910	1.943	8	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	P-4:C-4:N-2:	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(POOS)(CH3)(NC)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(POOS)(CH3)(NC)	118.7210	0.000	1	118.7210	0.000	1	119.2910	1.943	8	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	P-4:C-4:N-2:	N(CC[6a]H)(NCP)	C(C[6a]C[6a]N[6a])(NN)(H)	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]N[6a])(NN)(H)	N(PNNS)(CH3)(NC)	119.6205	1.459	6	119.6205	2.129	6	119.2910	1.943	8	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	P[6]-4:C-4:N-2:	N(CC[6a]H)(NP[6]C)	C(C[6a]C[6a]2)(NN)(H)	N(P[6]N[6]2N)(CH3)(NC)	N(CC[6a]H)(NP[6]C)	C(C[6a]C[6a]2)(NN)(H)	N(P[6]N[6]2N)(CH3)(NC)	119.8001	1.434	8	119.8001	2.056	8	119.8001	2.056	8	119.8021	2.099	27	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	2:1:1:	C-3:N-3:	N-3:N-2:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NHH)(NC)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NHH)(NC)(NN)	N(NC)(O)2	118.8350	0.000	1	118.8350	0.000	1	118.2747	0.236	3	118.2747	0.236	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	2:1:1:	C-3:N-3:	N-3:N-2:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NHH)(NN)2	N(NC)(O)2	N(CNN)(NOO)	C(NHH)(NN)2	N(NC)(O)2	117.9945	0.011	2	117.9945	0.000	2	118.2747	0.236	3	118.2747	0.236	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	C-3:N-2:N-2:	C-3:N-2:H-1:	N(CCN)(NCH)	C(CNN)(NN)2	N(COO)(NC)(H)	N(CCN)(NCH)	C(CNN)(NN)2	N(COO)(NC)(H)	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-2:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]O[5a])(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]O[5a])(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-2:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.4080	1.305	2	120.4080	1.704	2	120.4080	1.704	2	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]2)(NN)2	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]2)(NN)2	N(C[6a]C[6a]2)(NC)(H)	118.6490	0.000	1	118.6490	0.000	1	118.6490	0.000	1	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:O-2:	C-3:N-2:H-1:	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(OC)	N(CCO)(NC)(H)	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(OC)	N(CCO)(NC)(H)	116.7800	1.240	2	116.7800	1.538	2	116.7800	1.538	2	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:S-2:	C[6a]-3:N-2:H-1:	N(CC[6a]S)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(SS)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]S)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(SS)	N(C[6a]C[6a]2)(NC)(H)	120.7250	0.027	2	120.7250	0.001	2	120.7250	0.001	2	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	C-3:N-3:	N-3:N-2:S-2:	C-3:N-2:H-1:	N(CNS)(NCH)	C(NHH)(NN)(SC)	N(CCC)(NC)(H)	N(CNS)(NCH)	C(NHH)(NN)(SC)	N(CCC)(NC)(H)	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	N-3:C-3:	C-3:C-2:N-2:	C[5a]-3:N-2:H-1:	N(NC[5a]H)(CCC)	C(COO)(CN)(NN)	N(C[5a]C[5a,6a]N[5a])(NC)(H)	N(NC[5a]H)(CCC)	C(COO)(CN)(NN)	N(C[5a]C[5a,6a]N[5a])(NC)(H)	119.7730	0.000	1	119.7730	0.000	1	119.7730	0.000	1	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	N-3:C-3:	C-3:C-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCO)(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCO)(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.1952	0.496	6	120.1952	0.246	6	120.3183	0.201	9	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	N-3:C-3:	C-3:C-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]O)(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.5185	0.301	2	120.5185	0.090	2	120.3183	0.201	9	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	N-3:C-3:	C-3:C-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CNO)(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CNO)(CN)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.6570	0.000	1	120.6570	0.000	1	120.3183	0.201	9	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:1:	N-3:C-3:	N-3:N-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CNN)	C(NOO)(NN)2	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CNN)	C(NOO)(NN)2	N(C[6a]C[6a]2)(NC)(H)	117.9940	0.883	4	117.9940	0.779	4	117.9940	0.779	4	119.1531	3.067	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:2:2:	C-3:N-3:	C[6a]-3:N-2:N-2:	C[6a]-3:N-2:N-2:	N(CC[6a]N)(NC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NN)	N(C[6a]C[6a]2)(NC[6a])(NC)	N(CC[6a]N)(NC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NN)	N(C[6a]C[6a]2)(NC[6a])(NC)	116.7340	0.874	2	116.7340	0.764	2	116.7340	0.764	2	116.7340	0.764	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:3:2:	C-3:N-3:	C[6a]-3:C-2:N-2:	C-3:C-3:N-2:	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CN)(NN)	N(COO)2(NC)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CN)(NN)	N(COO)2(NC)	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	119.0265	1.533	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	3:3:2:	N-3:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:In-3:N-2:	N(NC[6a]In)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(C[6a]C[6a]2)(InCC)(NC)	N(NC[6a]In)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(C[6a]C[6a]2)(InCC)(NC)	119.9020	0.000	1	119.9020	0.000	1	119.9020	0.000	1	119.0265	1.533	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	4:4:2:	C-3:N-3:	C[6a]-3:O-2:N-2:	C-4:C-4:N-2:	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi)(NN)	N(CH3)2(NC)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi)(NN)	N(CH3)2(NC)	111.4640	0.000	1	111.4640	0.000	1	111.3860	8.230	3	110.4820	8.756	4	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	4:4:2:	C-3:N-3:	C[6a]-3:O-2:N-2:	C-4:C-4:N-2:	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi[5])(NN)	N(CH3)2(NC)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi[5])(NN)	N(CH3)2(NC)	111.3470	4.056	2	111.3470	16.451	2	111.3860	8.230	3	110.4820	8.756	4	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:2:2:	4:4:2:	C-3:N-3:	N-3:O-2:N-2:	C-4:C-4:N-2:	N(CNO)(NCC)	C(NCC)(OSi)(NN)	N(CH3)2(NC)	N(CNO)(NCC)	C(NCC)(OSi)(NN)	N(CH3)2(NC)	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	110.4820	8.756	4	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[5]-3:C[5]-3:N-2:	N-2:H-1:H-1:	N(CC[5]2)(NHH)	C(C[5]N[5]2)2(NN)	N(NC)(H)2	N(CC[5]2)(NHH)	C(C[5]N[5]2)2(NN)	N(NC)(H)2	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[5a]-3:C[5a]-3:N-2:	N-2:H-1:H-1:	N(CC[5a]2)(NHH)	C(C[5a]N[5a]2)2(NN)	N(NC)(H)2	N(CC[5a]2)(NHH)	C(C[5a]N[5a]2)2(NN)	N(NC)(H)2	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(NN)	N(NC)(H)2	119.5890	0.000	1	119.5890	0.000	1	119.7145	0.032	2	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CHN)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CHN)(NN)	N(NC)(H)2	119.8400	0.000	1	119.8400	0.000	1	119.7145	0.032	2	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:H-1:H-1:	N(CNN)(NHH)	C(NHH)(NHN)(NN)	N(NC)(H)2	N(CNN)(NHH)	C(NHH)(NHN)(NN)	N(NC)(H)2	119.3760	0.000	1	119.3760	0.000	1	120.0040	0.789	2	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:H-1:H-1:	N(CNN)(NHH)	C(NHH)2(NN)	N(NC)(H)2	N(CNN)(NHH)	C(NHH)2(NN)	N(NC)(H)2	120.6320	0.000	1	120.6320	0.000	1	120.0040	0.789	2	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NCH)(NHH)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NCH)(NHH)(NN)	N(NC)(O)2	118.5673	1.157	3	118.5673	1.339	3	118.8874	1.509	17	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NCH)2(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NCH)2(NN)	N(NC)(O)2	120.6735	0.575	4	120.6735	0.331	4	118.8874	1.509	17	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NCN)(NHH)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NCN)(NHH)(NN)	N(NC)(O)2	118.2775	0.086	2	118.2775	0.007	2	118.8874	1.509	17	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NCO)(NHH)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NCO)(NHH)(NN)	N(NC)(O)2	118.0280	0.000	1	118.0280	0.000	1	118.8874	1.509	17	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NC[5]H)(NHH)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NC[5]H)(NHH)(NN)	N(NC)(O)2	117.8035	0.049	2	117.8035	0.002	2	118.8874	1.509	17	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:O-1:O-1:	N(CNN)(NOO)	C(NHH)(NHN)(NN)	N(NC)(O)2	N(CNN)(NOO)	C(NHH)(NHN)(NN)	N(NC)(O)2	118.5000	0.838	5	118.5000	0.702	5	118.8874	1.509	17	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N[5a]-3:N-3:N-2:	N-2:H-1:H-1:	N(CN[5a]N)(NHH)	C(N[5a]C[5a,6a]C[5a])(NHH)(NN)	N(NC)(H)2	N(CN[5a]N)(NHH)	C(N[5a]C[5a,6a]C[5a])(NHH)(NN)	N(NC)(H)2	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	118.9948	2.405	24	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	N-2:N-2:O-1:	N(CC[6a]N)(NNO)	C(C[6a]C[6a]2)(NCC)(NN)	N(NC)(NO)(O)	N(CC[6a]N)(NNO)	C(C[6a]C[6a]2)(NCC)(NN)	N(NC)(NO)(O)	112.7600	0.000	1	112.7600	0.000	1	113.7110	1.809	2	113.7110	1.809	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	2:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	N-2:N-2:O-1:	N(CC[6a]N)(NNO)	C(C[6a]C[6a]2)(NHH)(NN)	N(NC)(NO)(O)	N(CC[6a]N)(NNO)	C(C[6a]C[6a]2)(NHH)(NN)	N(NC)(NO)(O)	114.6620	0.000	1	114.6620	0.000	1	113.7110	1.809	2	113.7110	1.809	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]2)(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]2)(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	118.6465	0.595	2	118.6465	0.354	2	119.3317	1.585	3	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]2)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]2)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.7020	0.000	1	120.7020	0.000	1	119.3317	1.585	3	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CC[6a]O)(NC)(H)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CC[6a]O)(NC)(H)	115.2900	0.000	1	115.2900	0.000	1	117.6960	1.481	10	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	117.8282	1.145	6	117.8282	1.312	6	117.6960	1.481	10	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNS)(NC)(H)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNS)(NC)(H)	118.2337	0.051	3	118.2337	0.003	3	117.6960	1.481	10	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[5a]N)(NCH)	C(C[5a]C[5a]2)(NHH)(NN)	N(CCO)(NC)(H)	N(CC[5a]N)(NCH)	C(C[5a]C[5a]2)(NHH)(NN)	N(CCO)(NC)(H)	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CHH)(NN)	N(CNS)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CHH)(NN)	N(CNS)(NC)(H)	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C[6])(NCH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	N(CC[6a]C[6])(NCH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	N(CC[6a]O)(NC)(H)	117.2935	0.595	2	117.2935	0.354	2	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	N(CNN)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	N(CNN)(NC)(H)	117.5020	0.000	1	117.5020	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	N(CNS)(NC)(H)	117.1610	0.000	1	117.1610	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCN)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCN)(NN)	N(CC[6a]O)(NC)(H)	116.5630	0.000	1	116.5630	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCN)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCN)(NN)	N(CNS)(NC)(H)	116.3500	0.000	1	116.3500	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]O)(NC)(H)	117.9575	0.073	2	117.9575	0.005	2	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CNS)(NC)(H)	118.8175	0.165	2	118.8175	0.027	2	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	N(CC[5a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	N(CC[5a]O)(NC)(H)	119.0890	0.000	1	119.0890	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	N(CNS)(NC)(H)	118.5760	0.000	1	118.5760	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	N(CCO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	N(CCO)(NC)(H)	117.9890	0.000	1	117.9890	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	N(CC[6a]O)(NC)(H)	117.9410	2.660	2	117.9410	7.076	2	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	N(CCO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	N(CCO)(NC)(H)	118.5050	0.000	1	118.5050	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	N(CC[5a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	N(CC[5a]O)(NC)(H)	120.8710	0.000	1	120.8710	0.000	1	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	N(CNO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	N(CNO)(NC)(H)	118.9665	0.605	2	118.9665	0.366	2	118.1346	1.525	19	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.8270	0.798	5	115.8270	0.637	5	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.2383	1.214	3	120.2383	1.474	3	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	120.2400	0.000	1	120.2400	0.000	1	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.9976	1.666	10	120.9976	2.775	10	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CCO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CCO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	118.6930	0.000	1	118.6930	0.000	1	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	121.3720	0.747	2	121.3720	0.558	2	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.9751	0.750	9	120.9751	0.562	9	120.0090	4.893	31	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[5]-3:N-2:	C[5]-3:N-2:H-1:	N(CC[6a]C[5])(NC[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C[5])(NC[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	N(C[5]N[5]S[5])(NC)(H)	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	N(CNS)(NC)(H)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	N(CNS)(NC)(H)	117.8980	2.018	2	117.8980	4.073	2	118.9848	2.935	4	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	N(CNO)(NC)(H)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	N(CNO)(NC)(H)	120.0130	0.000	1	120.0130	0.000	1	118.9848	2.935	4	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	N(CNS)(NC)(H)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	N(CNS)(NC)(H)	120.1300	0.000	1	120.1300	0.000	1	118.9848	2.935	4	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CCN)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CCN)(NC)(H)	117.2670	0.000	1	117.2670	0.000	1	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CCO)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CCO)(NC)(H)	119.9330	0.794	3	119.9330	0.630	3	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CC[3]O)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CC[3]O)(NC)(H)	116.6820	0.000	1	116.6820	0.000	1	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CC[5a]O)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CC[5a]O)(NC)(H)	118.1740	0.000	1	118.1740	0.000	1	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CC[6a]O)(NC)(H)	117.1342	1.203	18	117.1342	1.447	18	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CNO)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CNO)(NC)(H)	118.2115	0.425	2	118.2115	0.181	2	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CNS)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CNS)(NC)(H)	116.8935	1.326	2	116.8935	1.758	2	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CPdN)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CPdN)(NC)(H)	114.6460	0.000	1	114.6460	0.000	1	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CSS)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(NN)	N(CSS)(NC)(H)	117.5510	0.000	1	117.5510	0.000	1	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CCO)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CCO)(NC)(H)	118.9970	0.824	2	118.9970	0.680	2	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CC[6a]O)(NC)(H)	118.6813	0.279	3	118.6813	0.078	3	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	119.5240	1.607	3	119.5240	2.581	3	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CNS)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(CNS)(NC)(H)	118.7194	1.953	5	118.7194	3.813	5	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])2(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])2(NN)	N(CC[6a]O)(NC)(H)	118.2630	0.000	1	118.2630	0.000	1	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])2(NN)	N(CNO)(NC)(H)	N(CC[6a]2)(NCH)	C(C[6a]C[6a]N[6a])2(NN)	N(CNO)(NC)(H)	120.2583	0.955	4	120.2583	0.913	4	118.0885	2.677	48	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:H-1:	N(CC[6a]2)(NC[5a]H)	C(C[6a]C[6a]2)2(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]2)(NC[5a]H)	C(C[6a]C[6a]2)2(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]2)(NC)(H)	116.1800	0.000	1	116.1800	0.000	1	118.0600	7.069	2	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]N[6a])2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]N[6a])2(NN)	N(C[6a]C[6a]2)(NC)(H)	119.9400	0.000	1	119.9400	0.000	1	118.0600	7.069	2	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NHH)(NN)	N(CCN)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NHH)(NN)	N(CCN)(NC)(H)	113.5725	0.988	2	113.5725	0.976	2	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NHH)(NN)	N(CSS)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]2)(NHH)(NN)	N(CSS)(NC)(H)	114.6280	0.000	1	114.6280	0.000	1	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	N(CCO)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	N(CCO)(NC)(H)	118.5510	0.000	1	118.5510	0.000	1	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CCO)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CCO)(NC)(H)	118.1765	0.391	2	118.1765	0.153	2	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6]O)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6]O)(NC)(H)	119.5370	1.054	2	119.5370	1.110	2	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6a]O)(NC)(H)	118.9563	1.035	3	118.9563	1.071	3	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CNS)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CNS)(NC)(H)	116.8140	0.000	1	116.8140	0.000	1	117.4528	5.509	12	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]2)(NOO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]2)(NOO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.0510	5.863	2	120.0510	34.379	2	117.5250	14.383	5	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.9030	0.000	1	115.9030	0.000	1	117.5250	14.383	5	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	115.8100	1.370	2	115.8100	1.878	2	117.5250	14.383	5	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	N[5a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CN[5a]C)(NC[6a]H)	C(N[5a]C[5a,6a]C[5a])(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CN[5a]C)(NC[6a]H)	C(N[5a]C[5a,6a]C[5a])(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	119.9570	0.057	2	119.9570	0.003	2	119.9570	0.003	2	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6]-3:N-2:H-1:	N(NC[6]H)(CCC)	C(CC[6a]O)2(NN)	N(C[6]C[6]2)(NC)(H)	N(NC[6]H)(CCC)	C(CC[6a]O)2(NN)	N(C[6]C[6]2)(NC)(H)	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCN)(CCO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCN)(CCO)(NN)	N(C[6a]C[6a]2)(NC)(H)	121.5280	0.000	1	121.5280	0.000	1	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCO)(CHO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCO)(CHO)(NN)	N(C[6a]C[6a]2)(NC)(H)	121.3895	0.486	2	121.3895	0.236	2	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCO)(CNO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCO)(CNO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.9052	0.679	12	120.9052	0.461	12	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCO)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCO)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	121.6405	0.937	27	121.6405	0.877	27	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCO)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCO)2(NN)	N(C[6a]C[6a]2)(NC)(H)	121.5902	0.754	10	121.5902	0.569	10	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]O)(CCN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CCN)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.8260	0.000	1	120.8260	0.000	1	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]O)(CHO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CHO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.9560	0.136	2	120.9560	0.018	2	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]O)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]O)2(NN)	N(C[6a]C[6a]2)(NC)(H)	120.6676	0.853	5	120.6676	0.727	5	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CNO)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CNO)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.6000	0.000	1	120.6000	0.000	1	121.3449	0.748	61	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C[5]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]C)	C(C[5]N[5]2)(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(NC[6a]H)(CC[5]C)	C(C[5]N[5]2)(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	C[6]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(COO)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	121.9230	2.094	2	121.9230	4.387	2	121.9230	4.387	2	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:2:1:	N-3:C-3:	N[6]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CN[6]C)	C(N[6]C[6]2)(CCO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CN[6]C)	C(N[6]C[6]2)(CCO)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	119.3800	4.795	207	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:3:2:	C-3:N-3:	C[6a]-3:C-3:N-2:	C-3:C-3:N-2:	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(COO)2(NC)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	N(COO)2(NC)	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	116.1186	5.580	5	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:3:2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	B[5]-3:P-3:N-2:	N(CC[6a]2)(NB[5]P)	C(C[6a]C[6a]2)2(NN)	N(B[5]O[5]2)(PC[6a]2)(NC)	N(CC[6a]2)(NB[5]P)	C(C[6a]C[6a]2)2(NN)	N(B[5]O[5]2)(PC[6a]2)(NC)	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	116.1186	5.580	5	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:3:2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	117.1003	0.163	3	117.1003	0.027	3	117.1003	0.027	3	116.1186	5.580	5	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	3:4:2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(CH3)(NC)	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	P-4:N-2:H-1:	N(CC[6a]C)(NHP)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(PCCS)(NC)(H)	N(CC[6a]C)(NHP)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(PCCS)(NC)(H)	117.9550	0.214	2	117.9550	0.046	2	117.9550	0.046	2	117.6630	0.387	4	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	N(SC[6a]OO)(NC)(H)	117.9930	0.000	1	117.9930	0.000	1	117.3710	0.774	2	117.6630	0.387	4	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CNO)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CNO)(NN)	N(SC[6a]OO)(NC)(H)	116.7490	0.000	1	116.7490	0.000	1	117.3710	0.774	2	117.6630	0.387	4	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	4:3:2:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6]-4:C-3:N-2:	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CCH)(NN)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CCH)(NN)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	113.6050	0.569	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	4:3:2:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-4:C-3:N-2:	N(CC[6a]N)(NCC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CH3)(CSS)(NC)	N(CC[6a]N)(NCC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CH3)(CSS)(NC)	113.3125	0.790	2	113.3125	0.624	2	113.3125	0.624	2	113.6050	0.569	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:3:2:	5:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	Si[4]-5:N-2:H-1:	N(CC[6a]2)(NSi[4]H)	C(C[6a]C[6a]2)2(NN)	N(Si[4]N[4]2ClH)(NC)(H)	N(CC[6a]2)(NSi[4]H)	C(C[6a]C[6a]2)2(NN)	N(Si[4]N[4]2ClH)(NC)(H)	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(NC)(H)2	118.8210	0.000	1	118.8210	0.000	1	118.8210	0.000	1	118.8210	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	2:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	H-2:N-2:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CH3)(NN)	N(HH)(NC)(H)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CH3)(NN)	N(HH)(NC)(H)	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C-3:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CClN)(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CClN)(CH3)(NN)	N(CC[6a]O)(NC)(H)	116.8625	1.292	2	116.8625	1.669	2	116.8625	1.669	2	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]2)(CH3)(NN)	N(CNO)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]2)(CH3)(NN)	N(CNO)(NC)(H)	120.3360	0.000	1	120.3360	0.000	1	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]N[5a])(CH3)(NN)	N(CC[5a]O)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]N[5a])(CH3)(NN)	N(CC[5a]O)(NC)(H)	117.0685	0.640	2	117.0685	0.410	2	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]O[5a])(CH3)(NN)	N(CCO)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]O[5a])(CH3)(NN)	N(CCO)(NC)(H)	117.4750	0.016	2	117.4750	0.000	2	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CCHH)(NN)	N(CSS)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CCHH)(NN)	N(CSS)(NC)(H)	119.3160	0.000	1	119.3160	0.000	1	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CCO)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CCO)(NC)(H)	118.6905	0.037	2	118.6905	0.001	2	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CC[5a]O)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CC[5a]O)(NC)(H)	116.6160	0.000	1	116.6160	0.000	1	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CC[6a]O)(NC)(H)	117.5282	0.833	4	117.5282	0.693	4	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CNO)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CNO)(NC)(H)	117.5855	0.021	2	117.5855	0.000	2	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CNS)(NC)(H)	117.6165	1.002	8	117.6165	1.004	8	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CSS)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(CSS)(NC)(H)	118.6605	0.339	2	118.6605	0.115	2	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]N[5a]2)(CH3)(NN)	N(CNS)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]N[5a]2)(CH3)(NN)	N(CNS)(NC)(H)	118.8275	0.812	2	118.8275	0.660	2	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]N[5a]S[5a])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]N[5a]S[5a])(CH3)(NN)	N(CNS)(NC)(H)	117.5650	0.000	1	117.5650	0.000	1	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[5a]C)(NCH)	C(C[5a]N[5a]S[5a])(CH3)(NN)	N(CSS)(NC)(H)	N(CC[5a]C)(NCH)	C(C[5a]N[5a]S[5a])(CH3)(NN)	N(CSS)(NC)(H)	118.0900	0.000	1	118.0900	0.000	1	117.9167	0.975	29	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]2)(CH3)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]2)(CH3)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	118.0060	0.000	1	118.0060	0.000	1	116.6636	1.501	8	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.7710	0.000	1	115.7710	0.000	1	116.6636	1.501	8	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]O[5a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]O[5a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.0915	1.196	2	116.0915	1.430	2	116.6636	1.501	8	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]C[5a]S[5a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.1593	0.309	3	116.1593	0.095	3	116.6636	1.501	8	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[5a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]S[5a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]S[5a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	118.8710	0.000	1	118.8710	0.000	1	116.6636	1.501	8	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]2)(CH3)(NN)	N(CNO)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]2)(CH3)(NN)	N(CNO)(NC)(H)	120.1325	1.463	2	120.1325	2.140	2	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]2)(CH3)(NN)	N(COO)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]2)(CH3)(NN)	N(COO)(NC)(H)	117.6680	0.000	1	117.6680	0.000	1	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CCO)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CCO)(NC)(H)	118.6130	0.000	1	118.6130	0.000	1	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CC[6a]O)(NC)(H)	117.1770	0.000	1	117.1770	0.000	1	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CNN)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CNN)(NC)(H)	117.8410	0.365	2	117.8410	0.133	2	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CNO)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CNO)(NC)(H)	118.2030	0.017	2	118.2030	0.000	2	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	N(CNS)(NC)(H)	119.3660	1.218	3	119.3660	1.483	3	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]N[5,6]C[6])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]N[5,6]C[6])(CH3)(NN)	N(CNS)(NC)(H)	118.8495	0.834	2	118.8495	0.695	2	118.6863	1.290	14	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	N(CNS)(NC)(H)	117.9690	0.000	1	117.9690	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCCH)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCCH)(NN)	N(CC[6a]O)(NC)(H)	115.4590	0.000	1	115.4590	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CC[6a]O)(NC)(H)	121.3977	1.417	3	121.3977	2.008	3	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CNO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CNO)(NC)(H)	119.8905	0.618	4	119.8905	0.382	4	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CSS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CSS)(NC)(H)	119.3680	0.000	1	119.3680	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(CC[6a]O)(NC)(H)	118.2240	0.000	1	118.2240	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	N(CC[6a]O)(NC)(H)	116.8750	0.000	1	116.8750	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	N(CNS)(NC)(H)	118.3725	0.066	2	118.3725	0.004	2	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CF3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CF3)(NN)	N(CC[6a]O)(NC)(H)	118.8580	0.000	1	118.8580	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CCO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CCO)(NC)(H)	118.4773	1.282	29	118.4773	1.643	29	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[5a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[5a]O)(NC)(H)	117.5653	1.501	4	117.5653	2.252	4	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6]O)(NC)(H)	116.9200	0.000	1	116.9200	0.000	1	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]O)(NC)(H)	118.5553	1.969	43	118.5553	3.876	43	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CHO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CHO)(NC)(H)	118.0510	0.249	2	118.0510	0.062	2	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNO)(NC)(H)	118.8351	1.565	16	118.8351	2.449	16	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CNS)(NC)(H)	118.9121	1.366	53	118.9121	1.865	53	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(COO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(COO)(NC)(H)	118.8012	1.808	8	118.8012	3.268	8	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CSS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CSS)(NC)(H)	119.8743	0.364	4	119.8743	0.133	4	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CCO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CCO)(NC)(H)	116.7595	1.471	6	116.7595	2.164	6	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CC[6a]O)(NC)(H)	117.1762	2.032	6	117.1762	4.127	6	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CNS)(NC)(H)	118.6370	1.254	10	118.6370	1.571	10	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CSS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CSS)(NC)(H)	119.1430	0.780	4	119.1430	0.609	4	118.6290	2.621	201	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[5]-3:N-2:H-1:	N(CC[6a]C)(NC[5]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C)(NC[5]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5]N[5]S[5])(NC)(H)	115.3090	0.000	1	115.3090	0.000	1	117.0425	6.010	2	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[5]-3:N-2:H-1:	N(CC[6a]C)(NC[5]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[5]N[5]S[5])(NC)(H)	N(CC[6a]C)(NC[5]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[5]N[5]S[5])(NC)(H)	118.7760	0.000	1	118.7760	0.000	1	117.0425	6.010	2	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	120.5750	0.000	1	120.5750	0.000	1	119.6238	0.555	4	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	119.0910	0.424	2	119.0910	0.180	2	119.6238	0.555	4	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	119.7380	0.000	1	119.7380	0.000	1	119.6238	0.555	4	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.9435	0.525	2	115.9435	0.276	2	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.5957	0.954	3	117.5957	0.910	3	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5a]CH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5a]CH)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.0940	0.000	1	117.0940	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.3140	0.134	2	115.3140	0.018	2	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.9080	0.000	1	115.9080	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CF3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CF3)(NN)	N(C[6a]C[6a]2)(NC)(H)	121.5650	0.000	1	121.5650	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CFHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CFHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.3420	0.000	1	116.3420	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	117.4270	0.000	1	117.4270	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.4965	1.520	41	117.4965	2.311	41	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	118.6440	0.239	3	118.6440	0.057	3	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]N[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]N[6a]2)(NC)(H)	117.9820	0.000	1	117.9820	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	118.8650	0.000	1	118.8650	0.000	1	117.4789	2.380	58	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6]-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	N(CC[6a]O)(NC)(H)	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	N-3:C-3:	C[5]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.7505	0.356	2	116.7505	0.127	2	116.7505	0.127	2	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:2:1:	N-3:C-3:	C[6]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	118.7117	0.424	4	118.7117	0.179	4	118.7117	0.179	4	118.2843	2.602	325	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	3:3:2:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:C-3:N-2:	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CHHS)(NN)	N(CCC)(CCO)(NC)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CHHS)(NN)	N(CCC)(CCO)(NC)	112.9920	1.978	2	112.9920	3.914	2	112.9920	3.914	2	112.9920	3.914	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCHH)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCHH)(NN)	N(SC[6a]OO)(NC)(H)	117.5506	1.167	5	117.5506	1.362	5	117.4324	0.958	7	117.4324	0.958	7	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	117.1370	0.232	2	117.1370	0.054	2	117.4324	0.958	7	117.4324	0.958	7	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	4:3:2:	C-3:N-3:	C[5]-3:C-4:N-2:	S-4:C-3:N-2:	N(CC[5]C)(NCS)	C(C[5]C[5]S[5])(CCCH)(NN)	N(SC[6a]OO)(CCO)(NC)	N(CC[5]C)(NCS)	C(C[5]C[5]S[5])(CCCH)(NN)	N(SC[6a]OO)(CCO)(NC)	114.3000	0.000	1	114.3000	0.000	1	114.3000	0.000	1	117.2597	8.295	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	4:3:2:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-4:C-3:N-2:	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CH3)(CNS)(NC)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CH3)(CNS)(NC)	117.4260	0.000	1	117.4260	0.000	1	117.4260	0.000	1	117.2597	8.295	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	4:3:2:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6]-4:C-3:N-2:	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CHHN)(NN)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CHHN)(NN)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	117.2597	8.295	3	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	3:4:2:	4:4:2:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-4:C-4:N-2:	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CRuNS)(CH3)(NC)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCHH)(NN)	N(CRuNS)(CH3)(NC)	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	2:1:1:	C-3:N-3:	C-4:N-2:O-1:	N-2:H-1:H-1:	N(CCO)(NHH)	C(CCHN)(NN)(O)	N(NC)(H)2	N(CCO)(NHH)	C(CCHN)(NN)(O)	N(NC)(H)2	121.8470	0.000	1	121.8470	0.000	1	121.8470	0.000	1	121.8470	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C-4:N-2:Cl-1:	C-3:N-2:H-1:	N(CClC)(NCH)	C(CF3)(NN)(Cl)	N(CCN)(NC)(H)	N(CClC)(NCH)	C(CF3)(NN)(Cl)	N(CCN)(NC)(H)	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C-4:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCHH)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	C(CCHH)(NN)(H)	N(CC[6a]O)(NC)(H)	115.0672	0.398	9	115.0672	0.158	9	115.2009	0.438	14	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C-4:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCHH)(NN)(H)	N(CNS)(NC)(H)	N(CCH)(NCH)	C(CCHH)(NN)(H)	N(CNS)(NC)(H)	115.3555	1.130	4	115.3555	1.276	4	115.2009	0.438	14	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C-4:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CN[6a]HH)(NN)(H)	N(CNS)(NC)(H)	N(CCH)(NCH)	C(CN[6a]HH)(NN)(H)	N(CNS)(NC)(H)	115.7860	0.000	1	115.7860	0.000	1	115.2009	0.438	14	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C[3,5]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[3,5]H)(NC[6a]H)	C(C[3,5]C[3,5]C[3]C[5])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[3,5]H)(NC[6a]H)	C(C[3,5]C[3,5]C[3]C[5])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.0220	0.000	1	116.0220	0.000	1	116.0220	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C[3x6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[3x6]H)(NC[6a]H)	C(C[3x6]C[4x6]2H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]H)(NC[6a]H)	C(C[3x6]C[4x6]2H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C[5,6]-4:N-2:H-1:	C-3:N-2:H-1:	N(CC[5,6]H)(NCH)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CNS)(NC)(H)	N(CC[5,6]H)(NCH)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CNS)(NC)(H)	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C[5,6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5,6]H)(NC[6a]H)	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5,6]H)(NC[6a]H)	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	C-3:N-2:H-1:	N(CC[5]H)(NCH)	C(C[5]C[5]2Fe)(NN)(H)	N(CCO)(NC)(H)	N(CC[5]H)(NCH)	C(C[5]C[5]2Fe)(NN)(H)	N(CCO)(NC)(H)	114.4590	0.634	3	114.4590	0.402	3	115.0171	0.804	7	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	C-3:N-2:H-1:	N(CC[5]H)(NCH)	C(C[5]C[5]2Fe)(NN)(H)	N(CNS)(NC)(H)	N(CC[5]H)(NCH)	C(C[5]C[5]2Fe)(NN)(H)	N(CNS)(NC)(H)	115.4357	0.892	4	115.4357	0.795	4	115.0171	0.804	7	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6]-3:N-2:H-1:	N(NC[6]H)(CCH)	C(CCHH)(NN)(H)	N(C[6]C[6,6a]2)(NC)(H)	N(NC[6]H)(CCH)	C(CCHH)(NN)(H)	N(C[6]C[6,6a]2)(NC)(H)	113.5360	0.000	1	113.5360	0.000	1	115.8893	1.453	6	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6]-3:N-2:H-1:	N(NC[6]H)(CCH)	C(CCHH)(NN)(H)	N(C[6]N[6]2)(NC)(H)	N(NC[6]H)(CCH)	C(CCHH)(NN)(H)	N(C[6]N[6]2)(NC)(H)	116.3355	0.141	2	116.3355	0.020	2	115.8893	1.453	6	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6]-3:N-2:H-1:	N(NC[6]H)(CCH)	C(CHHN)(NN)(H)	N(C[6]N[6]2)(NC)(H)	N(NC[6]H)(CCH)	C(CHHN)(NN)(H)	N(C[6]N[6]2)(NC)(H)	116.3763	0.547	3	116.3763	0.300	3	115.8893	1.453	6	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCCH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCCH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.5840	0.000	1	115.5840	0.000	1	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCHH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCHH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	114.4410	0.000	1	114.4410	0.000	1	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CC[5]HH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CC[5]HH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.1672	0.604	4	116.1672	0.365	4	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CC[6]HH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CC[6]HH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.2361	1.783	7	115.2361	3.178	7	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CC[6a]FF)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CC[6a]FF)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.5930	0.000	1	116.5930	0.000	1	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CC[6a]HH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CC[6a]HH)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	117.0075	0.217	2	117.0075	0.047	2	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CH3)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CH3)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	114.0470	2.032	2	114.0470	4.130	2	115.5583	2.214	18	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C[4]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[4]H)	C(C[4]C[4]2H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[4]H)	C(C[4]C[4]2H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C[5]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]H)	C(C[5]C[5]2H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]H)	C(C[5]C[5]2H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.1570	0.247	2	115.1570	0.061	2	115.1570	0.061	2	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]H)	C(C[6]C[5,6]C[6]H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[5,6]C[6]H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	114.7190	0.000	1	114.7190	0.000	1	116.0512	1.002	4	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]H)	C(C[6]C[6,6]C[6]H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6,6]C[6]H)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	115.8630	0.000	1	115.8630	0.000	1	116.0512	1.002	4	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C[6]-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]O[6]C)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]O[6]C)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.8115	0.199	2	116.8115	0.039	2	116.0512	1.002	4	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	Si-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CSiH)	C(SiC[6a]2C)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CSiH)	C(SiC[6a]2C)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	118.8410	0.000	1	118.8410	0.000	1	118.8410	0.000	1	115.5256	1.627	58	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C-4:N-2:H-1:	S-4:N-2:H-1:	N(CCH)(NHS)	C(CCHH)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	C(CCHH)(NN)(H)	N(SC[6a]OO)(NC)(H)	115.1520	0.000	1	115.1520	0.000	1	115.3325	0.065	2	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C-4:N-2:H-1:	S-4:N-2:H-1:	N(CCH)(NHS)	C(CC[6a]CC)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	C(CC[6a]CC)(NN)(H)	N(SC[6a]OO)(NC)(H)	115.5130	0.000	1	115.5130	0.000	1	115.3325	0.065	2	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5,5,6]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5,5,6]H)(NHS)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5,5,6]H)(NHS)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	N(SC[6a]OO)(NC)(H)	116.2860	0.000	1	116.2860	0.000	1	116.2860	0.000	1	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5,6]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5,6]H)(NHS)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5,6]H)(NHS)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(SC[6a]OO)(NC)(H)	114.4005	0.503	2	114.4005	0.253	2	114.4005	0.253	2	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	C[6]-4:N-2:H-1:	N(CC[5]H)(NC[6]H)	C(C[5]C[5]2Fe)(NN)(H)	N(C[6]C[6]2Fe)(NC)(H)	N(CC[5]H)(NC[6]H)	C(C[5]C[5]2Fe)(NN)(H)	N(C[6]C[6]2Fe)(NC)(H)	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5]H)(NHS)	C(C[5]C[5]2C[6])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	C(C[5]C[5]2C[6])(NN)(H)	N(SC[6a]OO)(NC)(H)	114.6230	0.000	1	114.6230	0.000	1	115.2910	0.892	2	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5]H)(NHS)	C(C[5]C[5]2Mn)(NN)(H)	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	C(C[5]C[5]2Mn)(NN)(H)	N(SC[5]OO)(NC)(H)	115.9590	0.000	1	115.9590	0.000	1	115.2910	0.892	2	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[6]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[6]H)(NHS)	C(C[6]C[6]2P)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	C(C[6]C[6]2P)(NN)(H)	N(SC[6a]OO)(NC)(H)	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	115.6358	1.246	9	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:3:2:	C-3:N-3:	C-4:N-2:H-1:	C-4:C-3:N-2:	N(CCH)(NCC)	C(CCCH)(NN)(H)	N(CC[6a]HH)(CNN)(NC)	N(CCH)(NCC)	C(CCCH)(NN)(H)	N(CC[6a]HH)(CNN)(NC)	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:4:2:	C-3:N-3:	C[3]-4:N-2:H-1:	S-4:C-4:N-2:	N(CC[3]H)(NCS)	C(C[3]C[3]N[3]H)(NN)(H)	N(SC[6a]OO)(CCHH)(NC)	N(CC[3]H)(NCS)	C(C[3]C[3]N[3]H)(NN)(H)	N(SC[6a]OO)(CCHH)(NC)	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	119.6035	0.019	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:1:	4:4:2:	C-3:N-3:	C[5]-4:N-2:H-1:	C-4:C-4:N-2:	N(CC[5]H)(NCC)	C(C[5]C[5]2Fe)(NN)(H)	N(CH3)2(NC)	N(CC[5]H)(NCC)	C(C[5]C[5]2Fe)(NN)(H)	N(CH3)2(NC)	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	119.6035	0.019	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:2:	3:2:1:	N-3:C-3:	C-4:C-2:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(CC)(NN)	N(C[6a]N[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(CC)(NN)	N(C[6a]N[6a]2)(NC)(H)	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:2:2:	4:4:2:	C-3:N-3:	C-4:O-2:N-2:	C-4:C-4:N-2:	N(CCO)(NCC)	C(CF3)(OSi)(NN)	N(CH3)2(NC)	N(CCO)(NCC)	C(CF3)(OSi)(NN)	N(CH3)2(NC)	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(COO)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CCHH)(COO)(NN)	N(CC[6a]O)(NC)(H)	119.4040	0.000	1	119.4040	0.000	1	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(COO)(NN)	N(COO)(NC)(H)	N(CCC)(NCH)	C(CCHH)(COO)(NN)	N(COO)(NC)(H)	118.6970	0.000	1	118.6970	0.000	1	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHO)(CHN)(NN)	N(COO)(NC)(H)	N(CCC)(NCH)	C(CCHO)(CHN)(NN)	N(COO)(NC)(H)	119.6030	0.000	1	119.6030	0.000	1	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CCH)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)(CCH)(NN)	N(CC[6a]O)(NC)(H)	115.6710	0.000	1	115.6710	0.000	1	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CCN)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)(CCN)(NN)	N(CC[6a]O)(NC)(H)	115.8560	0.000	1	115.8560	0.000	1	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CCN)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CH3)(CCN)(NN)	N(CNS)(NC)(H)	118.0323	1.071	4	118.0323	1.146	4	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CCO)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CH3)(CCO)(NN)	N(CNS)(NC)(H)	118.2680	0.000	1	118.2680	0.000	1	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(COO)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)(COO)(NN)	N(CC[6a]O)(NC)(H)	117.3465	1.997	4	117.3465	3.988	4	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(COO)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CH3)(COO)(NN)	N(CNS)(NC)(H)	119.3650	0.198	2	119.3650	0.039	2	117.9840	2.400	16	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C[5,6]-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[5,6]C)(NC[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5,6]C)(NC[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.2950	0.000	1	117.2950	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(CCI)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(CCI)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.9660	0.000	1	117.9660	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	121.0140	0.000	1	121.0140	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]CH)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]CH)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	122.1450	0.000	1	122.1450	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(CCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.6515	1.910	2	116.6515	3.648	2	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(CCN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(CCN)(NN)	N(C[6a]C[6a]2)(NC)(H)	114.2330	0.000	1	114.2330	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(CCN)(NN)	N(C[6a]N[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(CCN)(NN)	N(C[6a]N[6a]2)(NC)(H)	115.2910	0.000	1	115.2910	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(CHN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(CHN)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.8480	0.000	1	115.8480	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(CNO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(CNO)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.5390	0.000	1	117.5390	0.000	1	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.5950	1.579	3	117.5950	2.492	3	117.4938	5.214	13	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:N-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCN)	C(CCHH)(NOO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCN)	C(CCHH)(NOO)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.9420	0.000	1	115.9420	0.000	1	115.9420	0.000	1	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	S-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCS)	C(SC[6a]OO)(CCN)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCS)	C(SC[6a]OO)(CCN)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.9980	0.000	1	120.9980	0.000	1	124.6170	2.912	7	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	S-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCS)	C(SC[6a]OO)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCS)	C(SC[6a]OO)(CC[6a]O)(NN)	N(C[6a]C[6a]2)(NC)(H)	125.2202	0.662	6	125.2202	0.439	6	124.6170	2.912	7	118.9831	10.632	38	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	4:2:1:	C-3:N-3:	C-4:C-3:N-2:	P-4:N-2:H-1:	N(CCC)(NHP)	C(CH3)(CCN)(NN)	N(PCCS)(NC)(H)	N(CCC)(NHP)	C(CH3)(CCN)(NN)	N(PCCS)(NC)(H)	117.6540	0.000	1	117.6540	0.000	1	117.6540	0.000	1	117.8775	0.100	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:3:2:	4:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6]-4:N-2:H-1:	N(NC[6]H)(CCC)	C(CC[6a]HH)(COO)(NN)	N(C[6]C[6]2H)(NC)(H)	N(NC[6]H)(CCC)	C(CC[6a]HH)(COO)(NN)	N(C[6]C[6]2H)(NC)(H)	118.1010	0.000	1	118.1010	0.000	1	118.1010	0.000	1	117.8775	0.100	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	2:1:1:	C-3:N-3:	C-4:C-4:N-2:	N-2:H-1:H-1:	N(CCC)(NHH)	C(CC3)2(NN)	N(NC)(H)2	N(CCC)(NHH)	C(CC3)2(NN)	N(NC)(H)2	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	120.6765	13.515	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	2:1:1:	C-3:N-3:	C[5]-4:C-4:N-2:	N-2:H-1:H-1:	N(CC[5]C)(NHH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(NC)(H)2	N(CC[5]C)(NHH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(NC)(H)2	118.0770	0.000	1	118.0770	0.000	1	118.0770	0.000	1	120.6765	13.515	2	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CC3)(CH3)(NN)	N(CCO)(NC)(H)	N(CCC)(NCH)	C(CC3)(CH3)(NN)	N(CCO)(NC)(H)	117.0370	0.085	2	117.0370	0.007	2	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(CF3)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CCHH)(CF3)(NN)	N(CC[6a]O)(NC)(H)	119.6070	0.000	1	119.6070	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CCO)(NC)(H)	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CCO)(NC)(H)	115.3070	0.000	1	115.3070	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CC[5a]O)(NC)(H)	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CC[5a]O)(NC)(H)	117.7287	0.952	3	117.7287	0.906	3	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CC[6a]O)(NC)(H)	116.5433	1.524	7	116.5433	2.324	7	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CNO)(NC)(H)	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CNO)(NC)(H)	117.1665	0.216	2	117.1665	0.047	2	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CCHH)(CH3)(NN)	N(CNS)(NC)(H)	118.2180	1.236	6	118.2180	1.527	6	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)2(NN)	N(CCO)(NC)(H)	N(CCC)(NCH)	C(CCHH)2(NN)	N(CCO)(NC)(H)	118.7770	0.000	1	118.7770	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)2(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CCHH)2(NN)	N(CC[6a]O)(NC)(H)	117.2283	0.816	3	117.2283	0.667	3	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHH)2(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CCHH)2(NN)	N(CNS)(NC)(H)	118.2520	0.349	3	118.2520	0.122	3	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CCHS)(CH3)(NN)	N(CSS)(NC)(H)	N(CCC)(NCH)	C(CCHS)(CH3)(NN)	N(CSS)(NC)(H)	118.6970	0.000	1	118.6970	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CC[6a]2H)(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CC[6a]2H)(CH3)(NN)	N(CC[6a]O)(NC)(H)	117.1780	0.000	1	117.1780	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CCN)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CCN)(NC)(H)	114.8000	0.000	1	114.8000	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CCO)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CCO)(NC)(H)	117.9047	0.537	3	117.9047	0.288	3	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[5a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[5a]O)(NC)(H)	115.9390	0.270	2	115.9390	0.073	2	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[6]O)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[6]O)(NC)(H)	115.0630	0.000	1	115.0630	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[6a]O)(NC)(H)	117.2058	0.937	21	117.2058	0.879	21	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CNN)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CNN)(NC)(H)	116.4323	0.249	3	116.4323	0.062	3	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CNS)(NC)(H)	118.2607	1.013	20	118.2607	1.025	20	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(COO)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(COO)(NC)(H)	116.6660	0.000	1	116.6660	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CHHN)(CH3)(NN)	N(CNO)(NC)(H)	N(CCC)(NCH)	C(CHHN)(CH3)(NN)	N(CNO)(NC)(H)	115.1300	0.550	4	115.1300	0.302	4	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CHHS)2(NN)	N(CNO)(NC)(H)	N(CCC)(NCH)	C(CHHS)2(NN)	N(CNO)(NC)(H)	117.9420	0.000	1	117.9420	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CN[5a]HH)(CH3)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CN[5a]HH)(CH3)(NN)	N(CNS)(NC)(H)	118.3020	0.000	1	118.3020	0.000	1	117.3868	1.667	89	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C[4]-4:C-4:N-2:	C-3:N-2:H-1:	N(CC[4]C)(NCH)	C(C[4]C[4]2H)(CN[5]HH)(NN)	N(CNS)(NC)(H)	N(CC[4]C)(NCH)	C(C[4]C[4]2H)(CN[5]HH)(NN)	N(CNS)(NC)(H)	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C[5]-4:C-4:N-2:	C-3:N-2:H-1:	N(CC[5]C)(NCH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CNO)(NC)(H)	N(CC[5]C)(NCH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CNO)(NC)(H)	117.4510	1.102	2	117.4510	1.214	2	117.8307	0.708	12	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C[5]-4:C-4:N-2:	C-3:N-2:H-1:	N(CC[5]C)(NCH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CNS)(NC)(H)	N(CC[5]C)(NCH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(CNS)(NC)(H)	118.1362	0.431	9	118.1362	0.186	9	117.8307	0.708	12	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C[5]-4:C-4:N-2:	C-3:N-2:H-1:	N(CC[5]C)(NCH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(COO)(NC)(H)	N(CC[5]C)(NCH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(COO)(NC)(H)	115.8400	0.000	1	115.8400	0.000	1	117.8307	0.708	12	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C[6]-4:C-4:N-2:	C-3:N-2:H-1:	N(CC[6]C)(NCH)	C(C[6]C[6]2H)(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]2H)(CH3)(NN)	N(CC[6a]O)(NC)(H)	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[5]-3:N-2:H-1:	N(NC[5]H)(CCC)	C(CH3)2(NN)	N(C[5]C[5]N[5])(NC)(H)	N(NC[5]H)(CCC)	C(CH3)2(NN)	N(C[5]C[5]N[5])(NC)(H)	118.7800	0.000	1	118.7800	0.000	1	118.3015	0.458	2	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[5]-3:N-2:H-1:	N(NC[5]H)(CCC)	C(CH3)2(NN)	N(C[5]N[5]S[5])(NC)(H)	N(NC[5]H)(CCC)	C(CH3)2(NN)	N(C[5]N[5]S[5])(NC)(H)	117.8230	0.000	1	117.8230	0.000	1	118.3015	0.458	2	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCCH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCCH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.3900	0.000	1	116.3900	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(CF3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(CF3)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.0610	0.000	1	117.0610	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.4558	0.285	5	116.4558	0.081	5	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(CH3)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(CH3)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	118.6995	0.441	2	118.6995	0.194	2	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)2(NN)	N(C[6a]C[6a]2)(NC)(H)	116.7168	0.331	4	116.7168	0.110	4	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHO)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHO)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.6700	0.000	1	115.6700	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[5]HH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[5]HH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	114.6950	0.000	1	114.6950	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6]HH)(CCCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6]HH)(CCCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.5460	0.000	1	116.5460	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]HH)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]HH)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.1420	0.000	1	116.1420	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]HH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]HH)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.3590	0.000	1	116.3590	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]HH)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]HH)2(NN)	N(C[6a]C[6a]2)(NC)(H)	117.6420	0.000	1	117.6420	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CC[6a]HN)(CCCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CC[6a]HN)(CCCH)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.5430	0.000	1	117.5430	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)2(NN)	N(C[6a]C[6a]2)(NC)(H)	115.6300	0.593	6	115.6300	0.352	6	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)2(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)2(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	117.7880	0.000	1	117.7880	0.000	1	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CN[5a]HH)(CN[6]HH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CN[5a]HH)(CN[6]HH)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.0827	0.499	3	117.0827	0.249	3	116.5803	0.925	30	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C[3]-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[3]C)	C(C[3]C[3]2H)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[3]C)	C(C[3]C[3]2H)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C[5]-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2C)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2C)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.4580	0.000	1	117.4580	0.000	1	116.4905	1.872	2	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C[5]-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2H)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2H)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	115.5230	0.000	1	115.5230	0.000	1	116.4905	1.872	2	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C[6]-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	117.2416	1.527	139	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-4:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CCCH)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CCCH)(NC)(H)	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C-4:C-4:N-2:	S-4:N-2:H-1:	N(CCC)(NHS)	C(CCHH)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	C(CCHH)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	115.6373	1.353	3	115.6373	1.829	3	115.5505	0.735	8	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C-4:C-4:N-2:	S-4:N-2:H-1:	N(CCC)(NHS)	C(CC[5]HH)(CCHH)(NN)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	C(CC[5]HH)(CCHH)(NN)	N(SC[6a]OO)(NC)(H)	114.6960	0.000	1	114.6960	0.000	1	115.5505	0.735	8	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C-4:C-4:N-2:	S-4:N-2:H-1:	N(CCC)(NHS)	C(CH3)2(NN)	N(SC[5]OO)(NC)(H)	N(CCC)(NHS)	C(CH3)2(NN)	N(SC[5]OO)(NC)(H)	115.0530	0.000	1	115.0530	0.000	1	115.5505	0.735	8	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C-4:C-4:N-2:	S-4:N-2:H-1:	N(CCC)(NHS)	C(CH3)2(NN)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	C(CH3)2(NN)	N(SC[6a]OO)(NC)(H)	115.9143	0.210	3	115.9143	0.044	3	115.5505	0.735	8	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[3,5]-4:C-4:N-2:	S-4:N-2:H-1:	N(CC[3,5]C)(NHS)	C(C[3,5]C[3,5,5]C[3,5]C[5])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	C(C[3,5]C[3,5,5]C[3,5]C[5])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	114.8710	0.250	2	114.8710	0.063	2	114.8710	0.063	2	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[4]-4:C-4:N-2:	S-4:N-2:H-1:	N(CC[4]C)(NHS)	C(C[4]C[4]2H)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[4]C)(NHS)	C(C[4]C[4]2H)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	117.3845	0.549	2	117.3845	0.302	2	117.3845	0.302	2	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[5]-4:C[5]-4:N-2:	S-4:N-2:H-1:	N(CC[5]2)(NHS)	C(C[5]C[5]2Fe)(C[5]C[5]2Ru)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	C(C[5]C[5]2Fe)(C[5]C[5]2Ru)(NN)	N(SC[6a]OO)(NC)(H)	116.1360	0.000	1	116.1360	0.000	1	116.2180	0.013	2	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[5]-4:C[5]-4:N-2:	S-4:N-2:H-1:	N(CC[5]2)(NHS)	C(C[5]C[5]2Ru)2(NN)	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	C(C[5]C[5]2Ru)2(NN)	N(SC[6a]OO)(NC)(H)	116.3000	0.000	1	116.3000	0.000	1	116.2180	0.013	2	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP2	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	Si-4:C-4:N-2:	S-4:N-2:H-1:	N(CSiC)(NHS)	C(SiC3)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	C(SiC3)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	115.9523	1.085	16	116.7827	4.777	2809	116.7827	4.777	2809
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	2:2:1:	3:2:1:	C-3:N-3:	N-2:N-2:S-1:	C-3:N-2:H-1:	N(CNS)(NCH)	C(NC)(NN)(S)	N(CC[6a]O)(NC)(H)	N(CNS)(NCH)	C(NC)(NN)(S)	N(CC[6a]O)(NC)(H)	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	2:2:2:	3:4:2:	C-3:N-3:	N-2:S-2:S-2:	C-3:C-4:N-2:	N(CSS)(NCC)	C(NN)(SC)2	N(CC[6a]O)(CH3)(NC)	N(CSS)(NCC)	C(NN)(SC)2	N(CC[6a]O)(CH3)(NC)	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	N-2:H-1:H-1:	N(CC[6a]H)(NHH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(NC)(H)2	N(CC[6a]H)(NHH)	C(C[6a]C[6a,6a]2)(NN)(H)	N(NC)(H)2	116.8370	0.000	1	116.8370	0.000	1	116.7398	0.207	4	116.7398	0.207	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	2:1:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	N-2:H-1:H-1:	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	N(NC)(H)2	N(CC[6a]H)(NHH)	C(C[6a]C[6a]2)(NN)(H)	N(NC)(H)2	116.7073	0.552	3	116.7073	0.304	3	116.7398	0.207	4	116.7398	0.207	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	N(CC[6a]O)(NC)(H)	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[5a]H)(NC[6a]H)	C(C[5a]C[5a]S[5a])(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.4020	0.670	2	116.4020	0.449	2	116.4020	0.449	2	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]O)(NC)(H)	117.1160	0.000	1	117.1160	0.000	1	114.8970	1.793	8	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CCO)(NC)(H)	113.2340	0.000	1	113.2340	0.000	1	114.8970	1.793	8	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]O)(NC)(H)	114.4115	0.366	4	114.4115	0.134	4	114.8970	1.793	8	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C-3:N-2:H-1:	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNS)(NC)(H)	N(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)(H)	N(CNS)(NC)(H)	115.5900	1.599	2	115.5900	2.558	2	114.8970	1.793	8	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5a]-3:N-2:H-1:	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]H)(NC[5a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5a]N[5a]S[5a])(NC)(H)	116.6135	0.668	2	116.6135	0.447	2	116.6135	0.447	2	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	3:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:H-1:	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	115.4801	1.808	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C-3:N-2:H-1:	S-4:N-2:H-1:	N(CCH)(NHS)	C(CCH)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	C(CCH)(NN)(H)	N(SC[6a]OO)(NC)(H)	115.2590	0.000	1	115.2590	0.000	1	114.8435	0.345	2	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C-3:N-2:H-1:	S-4:N-2:H-1:	N(CCH)(NHS)	C(CHN)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CCH)(NHS)	C(CHN)(NN)(H)	N(SC[6a]OO)(NC)(H)	114.4280	0.000	1	114.4280	0.000	1	114.8435	0.345	2	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[5a]H)(NHS)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(SC[6a]OO)(NC)(H)	112.7430	1.522	2	112.7430	2.316	2	113.4053	2.474	3	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[5a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[5a]H)(NHS)	C(C[5a]C[5a]S[5a])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5a]H)(NHS)	C(C[5a]C[5a]S[5a])(NN)(H)	N(SC[6a]OO)(NC)(H)	114.7300	0.000	1	114.7300	0.000	1	113.4053	2.474	3	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[5]-4:N-2:H-1:	N(CC[6a]H)(NC[5]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5]C[5]P[5]H)(NC)(H)	N(CC[6a]H)(NC[5]H)	C(C[6a]C[6a]2)(NN)(H)	N(C[5]C[5]P[5]H)(NC)(H)	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]2)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]2)(NN)(H)	N(SC[6a]OO)(NC)(H)	114.8470	0.000	1	114.8470	0.000	1	115.6019	1.792	19	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(SC[6a]OO)(NC)(H)	115.3695	0.199	2	115.3695	0.039	2	115.6019	1.792	19	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:2:1:	C-3:N-3:	C[6a]-3:N-2:H-1:	S-4:N-2:H-1:	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6a]H)(NHS)	C(C[6a]C[6a]2)(NN)(H)	N(SC[6a]OO)(NC)(H)	115.6782	1.448	16	115.6782	2.097	16	115.6019	1.792	19	115.3126	2.160	25	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	C[6]-4:C-4:N-2:	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6]2H)(CH3)(NC)	N(CC[6a]H)(NC[6]C)	C(C[6a]C[6a]2)(NN)(H)	N(C[6]C[6]2H)(CH3)(NC)	120.6465	0.354	2	120.6465	0.126	2	120.6465	0.126	2	120.1590	0.548	5	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	P-4:C-4:N-2:	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(PC[6a]NO)(CH3)(NC)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]2)(NN)(H)	N(PC[6a]NO)(CH3)(NC)	120.3340	0.000	1	120.3340	0.000	1	119.8340	0.636	3	120.1590	0.548	5	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:1:	4:4:2:	C-3:N-3:	C[6a]-3:N-2:H-1:	P-4:C-4:N-2:	N(CC[6a]H)(NCP)	C(C[6a]C[6a]N[6a])(NN)(H)	N(PNNS)(CH3)(NC)	N(CC[6a]H)(NCP)	C(C[6a]C[6a]N[6a])(NN)(H)	N(PNNS)(CH3)(NC)	119.5840	0.948	2	119.5840	0.898	2	119.8340	0.636	3	120.1590	0.548	5	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:2:	4:4:2:	C-3:N-3:	C[6a]-3:O-2:N-2:	C-4:C-4:N-2:	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi)(NN)	N(CH3)2(NC)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi)(NN)	N(CH3)2(NC)	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	110.0430	9.453	2	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:2:2:	4:4:2:	C-3:N-3:	N-3:O-2:N-2:	C-4:C-4:N-2:	N(CNO)(NCC)	C(NCC)(OSi)(NN)	N(CH3)2(NC)	N(CNO)(NCC)	C(NCC)(OSi)(NN)	N(CH3)2(NC)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	110.0430	9.453	2	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C-3:N-3:N-2:	N-2:H-1:H-1:	N(CCN)(NHH)	C(CNS)(NHH)(NN)	N(NC)(H)2	N(CCN)(NHH)	C(CNS)(NHH)(NN)	N(NC)(H)2	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[5a]-3:N-3:N-2:	N-2:H-1:H-1:	N(CC[5a]N)(NHH)	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(NC)(H)2	N(CC[5a]N)(NHH)	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(NC)(H)2	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(NC)(H)2	118.6725	0.501	4	118.6725	0.251	4	118.7198	0.248	6	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CHN)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CHN)(NN)	N(NC)(H)2	118.8145	0.678	2	118.8145	0.460	2	118.7198	0.248	6	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	N-2:H-1:H-1:	N(CC[6a]N)(NHH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(NC)(H)2	N(CC[6a]N)(NHH)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(NC)(H)2	114.8800	0.076	2	114.8800	0.006	2	114.8800	0.006	2	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:H-1:H-1:	N(CNN)(NHH)	C(NHH)2(NN)	N(NC)(H)2	N(CNN)(NHH)	C(NHH)2(NN)	N(NC)(H)2	120.0690	0.000	1	120.0690	0.000	1	119.0095	2.245	2	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	N-3:N-3:N-2:	N-2:H-1:H-1:	N(CNN)(NHH)	C(NHN)2(NN)	N(NC)(H)2	N(CNN)(NHH)	C(NHN)2(NN)	N(NC)(H)2	117.9500	0.000	1	117.9500	0.000	1	119.0095	2.245	2	117.9343	4.309	12	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C[5a]-3:N-2:	C-3:N-2:H-1:	N(CC[5a]2)(NCH)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(NN)	N(CC[6a]O)(NC)(H)	N(CC[5a]2)(NCH)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(NN)	N(CC[6a]O)(NC)(H)	116.6360	0.147	2	116.6360	0.022	2	116.6360	0.022	2	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNO)(NC)(H)	118.8530	0.000	1	118.8530	0.000	1	117.9780	0.686	3	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[5a]-3:C[6a]-3:N-2:	C-3:N-2:H-1:	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNS)(NC)(H)	N(CC[5a]C[6a])(NCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CNS)(NC)(H)	117.5405	0.473	2	117.5405	0.224	2	117.9780	0.686	3	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(NC[6a]H)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]2)(NC)(H)	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-3:N-2:H-1:	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6]O)(NC)(H)	N(CC[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6]O)(NC)(H)	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:2:1:	C-3:N-3:	C[6a]-3:N-3:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]N)(NC[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(C[6a]C[6a]2)(NC)(H)	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	118.7481	6.962	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:3:2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	B[5]-3:P-3:N-2:	N(CC[6a]2)(NB[5]P)	C(C[6a]C[6a]2)2(NN)	N(B[5]O[5]2)(PC[6a]2)(NC)	N(CC[6a]2)(NB[5]P)	C(C[6a]C[6a]2)2(NN)	N(B[5]O[5]2)(PC[6a]2)(NC)	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	116.8790	0.196	2	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:3:2:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:N-2:	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	N(CC[6a]2)(NC[6a]C)	C(C[6a]C[6a]2)2(NN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	116.8790	0.196	2	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	3:4:2:	C-3:N-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-4:N-2:	N(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a]2)(CH3)(NC)	N(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(COO)(NN)	N(C[6a]C[6a]2)(CH3)(NC)	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCH)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCH)(NN)	N(SC[6a]OO)(NC)(H)	115.7540	0.000	2	115.7540	0.000	2	116.2103	0.625	3	116.1493	0.391	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-3:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CHN)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CHN)(NN)	N(SC[6a]OO)(NC)(H)	117.1230	0.000	1	117.1230	0.000	1	116.2103	0.625	3	116.1493	0.391	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	4:2:1:	C-3:N-3:	C[6a]-3:C[6a]-3:N-2:	S-4:N-2:H-1:	N(CC[6a]2)(NHS)	C(C[6a]C[6a]2)2(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]2)(NHS)	C(C[6a]C[6a]2)2(NN)	N(SC[6a]OO)(NC)(H)	116.1326	0.618	11	116.1326	0.382	11	116.1326	0.382	11	116.1493	0.391	14	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	4:3:2:	C-3:N-3:	C[5a]-3:C[6a]-3:N-2:	C-4:C-3:N-2:	N(CC[5a]C[6a])(NCC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CH3)(CNS)(NC)	N(CC[5a]C[6a])(NCC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	N(CH3)(CNS)(NC)	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.5955	0.681	2	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	4:3:2:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-4:C-3:N-2:	N(CC[6a]N)(NCC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CH3)(CSS)(NC)	N(CC[6a]N)(NCC)	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CH3)(CSS)(NC)	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	115.5955	0.681	2	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:3:2:	4:4:2:	C-3:N-3:	C[6a]-3:N-3:N-2:	C-4:C-4:N-2:	N(CC[6a]N)(NCC)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	N(CH3)2(NC)	N(CC[6a]N)(NCC)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	N(CH3)2(NC)	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	N(NC)(H)2	119.6000	0.000	1	119.6000	0.000	1	117.9403	2.749	3	117.9403	2.749	3	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CH3)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CH3)(NN)	N(NC)(H)2	116.2840	0.000	1	116.2840	0.000	1	117.9403	2.749	3	117.9403	2.749	3	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	2:1:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	N-2:H-1:H-1:	N(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(NC)(H)2	N(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(NC)(H)2	117.9370	0.000	1	117.9370	0.000	1	117.9403	2.749	3	117.9403	2.749	3	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]O)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(CC[6a]O)(NC)(H)	118.9176	1.258	5	118.9176	1.582	5	118.3251	1.823	8	118.7819	1.777	13	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(COO)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CH3)(NN)	N(COO)(NC)(H)	116.2710	0.000	1	116.2710	0.000	1	118.3251	1.823	8	118.7819	1.777	13	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-3:N-2:H-1:	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CNS)(NC)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(CNS)(NC)(H)	117.8710	0.209	2	117.8710	0.044	2	118.3251	1.823	8	118.7819	1.777	13	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[5a]-3:N-2:H-1:	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	N(CC[6a]C)(NC[5a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[5a]N[5a]S[5a])(NC)(H)	118.7837	0.279	3	118.7837	0.078	3	118.7837	0.078	3	118.7819	1.777	13	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]2)(NC)(H)	120.4040	0.000	1	120.4040	0.000	1	120.6065	0.082	2	118.7819	1.777	13	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	3:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	C[6a]-3:N-2:H-1:	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CH3)(NN)	N(C[6a]C[6a]N[6a])(NC)(H)	120.8090	0.000	1	120.8090	0.000	1	120.6065	0.082	2	118.7819	1.777	13	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC3)(NN)	N(SC[6a]OO)(NC)(H)	116.7380	0.000	1	116.7380	0.000	1	117.6327	2.025	9	117.6327	2.025	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	117.8966	1.528	7	117.8966	2.335	7	117.6327	2.025	9	117.6327	2.025	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	4:2:1:	C-3:N-3:	C[6a]-3:C-4:N-2:	S-4:N-2:H-1:	N(CC[6a]C)(NHS)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]N[6a])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	116.6800	0.000	1	116.6800	0.000	1	117.6327	2.025	9	117.6327	2.025	9	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	4:3:2:	C-3:N-3:	C[6a]-3:C-4:N-2:	C-4:C-3:N-2:	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCCH)(NN)	N(CC[6a]HH)(CNO)(NC)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CCCH)(NN)	N(CC[6a]HH)(CNO)(NC)	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	3:4:2:	4:4:2:	C-3:N-3:	C[6]-3:C-4:N-2:	C-4:C-4:N-2:	N(CC[6]C)(NCC)	C(C[6]C[6]2)(CCHH)(NN)	N(CRuNS)(CH3)(NC)	N(CC[6]C)(NCC)	C(C[6]C[6]2)(CCHH)(NN)	N(CRuNS)(CH3)(NC)	117.0470	0.000	1	117.0470	0.000	1	117.0470	0.000	1	117.0470	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	3:2:1:	N-3:C-3:	C-4:N-2:H-1:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCH)	C(CCHO)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCH)	C(CCHO)(NN)(H)	N(C[6a]C[6a]2)(NC)(H)	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[3]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[3]H)(NHS)	C(C[3]C[3]2C)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[3]H)(NHS)	C(C[3]C[3]2C)(NN)(H)	N(SC[6a]OO)(NC)(H)	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	114.9131	1.209	7	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5]H)(NHS)	C(C[5]C[5]2C)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	C(C[5]C[5]2C)(NN)(H)	N(SC[6a]OO)(NC)(H)	115.3870	0.871	2	115.3870	0.759	2	115.3966	0.200	5	114.9131	1.209	7	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5]H)(NHS)	C(C[5]C[5]2C[6])(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[5]H)(NHS)	C(C[5]C[5]2C[6])(NN)(H)	N(SC[6a]OO)(NC)(H)	115.5230	0.000	1	115.5230	0.000	1	115.3966	0.200	5	114.9131	1.209	7	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5]H)(NHS)	C(C[5]C[5]2Mn)(NN)(H)	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	C(C[5]C[5]2Mn)(NN)(H)	N(SC[5]OO)(NC)(H)	115.4420	0.000	1	115.4420	0.000	1	115.3966	0.200	5	114.9131	1.209	7	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[5]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[5]H)(NHS)	C(C[5]C[5]2Re)(NN)(H)	N(SC[5]OO)(NC)(H)	N(CC[5]H)(NHS)	C(C[5]C[5]2Re)(NN)(H)	N(SC[5]OO)(NC)(H)	115.2440	0.000	1	115.2440	0.000	1	115.3966	0.200	5	114.9131	1.209	7	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:2:1:	C-3:N-3:	C[6]-4:N-2:H-1:	S-4:N-2:H-1:	N(CC[6]H)(NHS)	C(C[6]C[6,6]C[6]H)(NN)(H)	N(SC[6a]OO)(NC)(H)	N(CC[6]H)(NHS)	C(C[6]C[6,6]C[6]H)(NN)(H)	N(SC[6a]OO)(NC)(H)	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	114.9131	1.209	7	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:1:	4:4:2:	C-3:N-3:	C[5]-4:N-2:H-1:	C-4:C-4:N-2:	N(CC[5]H)(NCC)	C(C[5]C[5]2Fe)(NN)(H)	N(CH3)2(NC)	N(CC[5]H)(NCC)	C(C[5]C[5]2Fe)(NN)(H)	N(CH3)2(NC)	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:2:2:	4:4:2:	C-3:N-3:	C-4:O-2:N-2:	C-4:C-4:N-2:	N(CCO)(NCC)	C(CF3)(OSi)(NN)	N(CH3)2(NC)	N(CCO)(NCC)	C(CF3)(OSi)(NN)	N(CH3)2(NC)	107.7397	0.705	3	107.7397	0.497	3	107.7397	0.497	3	107.7397	0.497	3	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:3:2:	2:1:1:	C-3:N-3:	C-4:C-3:N-2:	N-2:H-1:H-1:	N(CCC)(NHH)	C(CC[6a]HH)(CNO)(NN)	N(NC)(H)2	N(CCC)(NHH)	C(CC[6a]HH)(CNO)(NN)	N(NC)(H)2	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CCH)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CH3)(CCH)(NN)	N(CNS)(NC)(H)	117.8610	0.000	1	117.8610	0.000	1	118.1390	2.089	3	118.0602	1.417	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CCN)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CH3)(CCN)(NN)	N(CNS)(NC)(H)	116.8530	0.000	1	116.8530	0.000	1	118.1390	2.089	3	118.0602	1.417	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:3:2:	3:2:1:	C-3:N-3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)(CNS)(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)(CNS)(NN)	N(CC[6a]O)(NC)(H)	119.7030	0.000	1	119.7030	0.000	1	118.1390	2.089	3	118.0602	1.417	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:3:2:	3:2:1:	N-3:C-3:	C-4:C-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CCHH)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CCHH)(COO)(NN)	N(C[6a]C[6a]2)(NC)(H)	117.8240	0.000	1	117.8240	0.000	1	117.8240	0.000	1	118.0602	1.417	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:3:2:	4:2:1:	C-3:N-3:	C-4:C-3:N-2:	S-4:N-2:H-1:	N(CCC)(NHS)	C(CH3)(CCN)(NN)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	C(CH3)(CCN)(NN)	N(SC[6a]OO)(NC)(H)	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	2:1:1:	C-3:N-3:	C[5]-4:C-4:N-2:	N-2:H-1:H-1:	N(CC[5]C)(NHH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(NC)(H)2	N(CC[5]C)(NHH)	C(C[5]C[5]2Fe)(CH3)(NN)	N(NC)(H)2	117.5580	0.236	3	117.5580	0.056	3	117.5580	0.056	3	117.5580	0.056	3	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[6a]O)(NC)(H)	N(CCC)(NCH)	C(CH3)2(NN)	N(CC[6a]O)(NC)(H)	115.9820	0.000	1	115.9820	0.000	1	116.2743	0.141	3	116.4153	0.173	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CN[5a]HH)(CH3)(NN)	N(CNS)(NC)(H)	N(CCC)(NCH)	C(CN[5a]HH)(CH3)(NN)	N(CNS)(NC)(H)	116.6970	0.000	1	116.6970	0.000	1	116.2743	0.141	3	116.4153	0.173	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	3:2:1:	C-3:N-3:	C-4:C-4:N-2:	C-3:N-2:H-1:	N(CCC)(NCH)	C(CP[6]HH)(CH3)(NN)	N(COO)(NC)(H)	N(CCC)(NCH)	C(CP[6]HH)(CH3)(NN)	N(COO)(NC)(H)	116.1440	0.000	1	116.1440	0.000	1	116.2743	0.141	3	116.4153	0.173	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	3:2:1:	N-3:C-3:	C-4:C-4:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(CCC)	C(CH3)2(NN)	N(C[6a]C[6a]2)(NC)(H)	N(NC[6a]H)(CCC)	C(CH3)2(NN)	N(C[6a]C[6a]2)(NC)(H)	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	116.4153	0.173	4	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C-4:C-4:N-2:	S-4:N-2:H-1:	N(CCC)(NHS)	C(CCHH)(CCHS)(NN)	N(SC[6a]OO)(NC)(H)	N(CCC)(NHS)	C(CCHH)(CCHS)(NN)	N(SC[6a]OO)(NC)(H)	117.4880	0.000	1	117.4880	0.000	1	117.4880	0.000	1	116.2125	1.182	8	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[3,5]-4:C-4:N-2:	S-4:N-2:H-1:	N(CC[3,5]C)(NHS)	C(C[3,5]C[3,5,5]C[3,5]C[5])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[3,5]C)(NHS)	C(C[3,5]C[3,5,5]C[3,5]C[5])(CH3)(NN)	N(SC[6a]OO)(NC)(H)	115.5420	0.160	2	115.5420	0.026	2	115.5420	0.026	2	116.2125	1.182	8	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[5]-4:C-4:N-2:	S-4:N-2:H-1:	N(CC[5]C)(NHS)	C(C[5]C[5]2H)(CCHH)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[5]C)(NHS)	C(C[5]C[5]2H)(CCHH)(NN)	N(SC[6a]OO)(NC)(H)	115.5035	0.293	2	115.5035	0.086	2	115.5035	0.086	2	116.2125	1.182	8	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[5]-4:C[5]-4:N-2:	S-4:N-2:H-1:	N(CC[5]2)(NHS)	C(C[5]C[5]2Fe)2(NN)	N(SC[6a]OO)(NC)(H)	N(CC[5]2)(NHS)	C(C[5]C[5]2Fe)2(NN)	N(SC[6a]OO)(NC)(H)	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	116.2125	1.182	8	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	C[6]-4:C-4:N-2:	S-4:N-2:H-1:	N(CC[6]C)(NHS)	C(C[6]C[5,6]C[6]H)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CC[6]C)(NHS)	C(C[6]C[5,6]C[6]H)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	116.2125	1.182	8	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:2:1:	C-3:N-3:	Si-4:C-4:N-2:	S-4:N-2:H-1:	N(CSiC)(NHS)	C(SiC3)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	N(CSiC)(NHS)	C(SiC3)(CH3)(NN)	N(SC[6a]OO)(NC)(H)	118.2920	0.000	1	118.2920	0.000	1	118.2920	0.000	1	116.2125	1.182	8	116.5282	6.382	155	116.5282	6.382	155
941	930	956	0:SP2_SP2_SP3	N	C	N	3:3:	4:4:2:	4:4:2:	C-3:N-3:	C[6]-4:C-4:N-2:	C-4:C-4:N-2:	N(CC[6]C)(NCC)	C(C[6]C[6]2H)(CCCH)(NN)	N(CH3)2(NC)	N(CC[6]C)(NCC)	C(C[6]C[6]2H)(CCCH)(NN)	N(CH3)2(NC)	116.0750	0.000	2	116.0750	0.000	2	116.0750	0.000	2	116.0750	0.000	2	116.5282	6.382	155	116.5282	6.382	155
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	2:2:2:	2:2:	C-3:C-2:	N-2:S-2:S-2:	N-2:N-2:	N(CSS)(CN)	C(NC)(SC)2	C(NCo)(NC)	N(CSS)(CN)	C(NC)(SC)2	C(NCo)(NC)	120.3835	0.416	2	120.3835	0.173	2	120.3727	0.059	4	120.3727	0.059	4	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	2:2:2:	2:2:	C-3:C-2:	N-2:S-2:S-2:	N-2:N-2:	N(CSS)(CN)	C(NC)(SC)2	C(NZn)(NC)	N(CSS)(CN)	C(NC)(SC)2	C(NZn)(NC)	120.3620	0.055	2	120.3620	0.003	2	120.3727	0.059	4	120.3727	0.059	4	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N-3:N-2:O-1:	N-2:N-1:	N(CNO)(CN)	C(NC[6a]H)(NC)(O)	C(NC)(N)	N(CNO)(CN)	C(NC[6a]H)(NC)(O)	C(NC)(N)	115.7350	0.875	2	115.7350	0.766	2	115.7350	0.766	2	115.7350	0.766	2	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C-3:N-2:O-1:	C-3:N-2:	N(CCO)(CC)	C(CCC)(NC)(O)	C(CCN)(NC)	N(CCO)(CC)	C(CCC)(NC)(O)	C(CCN)(NC)	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:N-2:H-1:	C-4:N-2:	N(CCH)(CC)	C(CHN)(NC)(H)	C(CCHH)(NC)	N(CCH)(CC)	C(CHN)(NC)(H)	C(CCHH)(NC)	130.8230	0.000	1	130.8230	0.000	1	130.8230	0.000	1	124.7425	73.945	2	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[5]-3:N-2:O-1:	S-4:N-2:	N(CC[5]O)(CS)	C(C[5]N[5,6]C[5])(NC)(O)	C(SC[6]OO)(NC)	N(CC[5]O)(CS)	C(C[5]N[5,6]C[5])(NC)(O)	C(SC[6]OO)(NC)	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	124.7425	73.945	2	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	C[6a]-3:N-2:O-2:	N-2:N-1:	N(CC[6a]O)(CN)	C(C[6a]C[6a]2)(NC)(OC)	C(NC)(N)	N(CC[6a]O)(CN)	C(C[6a]C[6a]2)(NC)(OC)	C(NC)(N)	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	N-3:N-2:N-2:	N-2:N-1:	N(CNN)(CN)	C(NHH)(NC)(NH)	C(NC)(N)	N(CNN)(CN)	C(NHH)(NC)(NH)	C(NC)(N)	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	N-3:N-2:S-2:	N-2:N-1:	N(CNS)(CN)	C(NCH)(NC)(SC)	C(NC)(N)	N(CNS)(CN)	C(NCH)(NC)(SC)	C(NC)(N)	119.2010	0.000	1	119.2010	0.000	1	118.9700	2.256	3	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	N-3:N-2:S-2:	N-2:N-1:	N(CNS)(CN)	C(NC[5a]H)(NC)(SC)	C(NC)(N)	N(CNS)(CN)	C(NC[5a]H)(NC)(SC)	C(NC)(N)	117.3660	0.000	1	117.3660	0.000	1	118.9700	2.256	3	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	N-3:N-2:S-2:	N-2:N-1:	N(CNS)(CN)	C(NC[6a]H)(NC)(SC)	C(NC)(N)	N(CNS)(CN)	C(NC[6a]H)(NC)(SC)	C(NC)(N)	120.3430	0.000	1	120.3430	0.000	1	118.9700	2.256	3	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	N-3:O-2:N-2:	N-2:N-1:	N(CNO)(CN)	C(NC[6a]H)(OC[6a])(NC)	C(NC)(N)	N(CNO)(CN)	C(NC[6a]H)(OC[6a])(NC)	C(NC)(N)	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	N[6]-3:N-2:S-2:	N-2:N-1:	N(CN[6]S)(CN)	C(N[6]C[6]2)(NC)(SC)	C(NC)(N)	N(CN[6]S)(CN)	C(N[6]C[6]2)(NC)(SC)	C(NC)(N)	121.8110	0.000	1	121.8110	0.000	1	121.8110	0.000	1	119.5886	3.319	7	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[5a]-3:C-3:N-2:	N-2:H-1:	N(CC[5a]C)(CH)	C(C[5a]N[5a]2)(CCH)(NC)	C(NC)(H)	N(CC[5a]C)(CH)	C(C[5a]N[5a]2)(CCH)(NC)	C(NC)(H)	127.8800	0.000	1	127.8800	0.000	1	127.8800	0.000	1	120.3603	10.824	9	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	N-3:N-3:N-2:	N-2:N-1:	N(CNN)(CN)	C(NC[6a]H)(NCH)(NC)	C(NC)(N)	N(CNN)(CN)	C(NC[6a]H)(NCH)(NC)	C(NC)(N)	119.8953	1.885	3	119.8953	3.552	3	120.1840	1.777	6	120.3603	10.824	9	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	N-3:N-3:N-2:	N-2:N-1:	N(CNN)(CN)	C(NC[6a]H)(NHH)(NC)	C(NC)(N)	N(CNN)(CN)	C(NC[6a]H)(NHH)(NC)	C(NC)(N)	119.5920	0.000	1	119.5920	0.000	1	120.1840	1.777	6	120.3603	10.824	9	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	N-3:N-3:N-2:	N-2:N-1:	N(CNN)(CN)	C(NHH)2(NC)	C(NC)(N)	N(CNN)(CN)	C(NHH)2(NC)	C(NC)(N)	120.9130	0.342	2	120.9130	0.117	2	120.1840	1.777	6	120.3603	10.824	9	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	N[5]-3:N-3:N-2:	N-2:N-1:	N(CN[5]N)(CN)	C(N[5]C[5]N[5])(NMnH)(NC)	C(NC)(N)	N(CN[5]N)(CN)	C(N[5]C[5]N[5])(NMnH)(NC)	C(NC)(N)	116.9110	0.000	1	116.9110	0.000	1	116.9110	0.000	1	120.3603	10.824	9	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	N[5a]-3:N-3:N-2:	N-2:N-1:	N(CN[5a]N)(CN)	C(N[5a]C[5a]N[5a])(NHH)(NC)	C(NC)(N)	N(CN[5a]N)(CN)	C(N[5a]C[5a]N[5a])(NHH)(NC)	C(NC)(N)	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	120.3603	10.824	9	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:2:	C-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C-2:N-2:	N(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(NC)	C(CC[6])(NC)	N(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(NC)	C(CC[6])(NC)	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	119.4833	1.637	6	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:2:	C-3:C-2:	N-3:N-3:N-2:	N-2:N-2:	N(CNN)(CN)	C(NHH)2(NC)	C(NPt)(NC)	N(CNN)(CN)	C(NHH)2(NC)	C(NPt)(NC)	118.9380	1.368	3	118.9380	1.872	3	119.2076	1.476	5	119.4833	1.637	6	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	3:3:2:	2:2:	C-3:C-2:	N-3:N-3:N-2:	N-2:N-2:	N(CNN)(CN)	C(NHH)2(NC)	C(NZn)(NC)	N(CNN)(CN)	C(NHH)2(NC)	C(NZn)(NC)	119.6120	1.271	2	119.6120	1.616	2	119.2076	1.476	5	119.4833	1.637	6	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	4:3:2:	2:1:	C-3:C-2:	C-4:N-3:N-2:	N-2:N-1:	N(CCN)(CN)	C(CCl3)(NHH)(NC)	C(NC)(N)	N(CCN)(CN)	C(CCl3)(NHH)(NC)	C(NC)(N)	121.0330	0.000	1	121.0330	0.000	1	120.2505	1.225	2	120.2505	1.225	2	119.9653	8.706	33	119.9653	8.706	33
941	930	983	0:SP2_SP1_SP2	N	C	C	3:2:	4:3:2:	2:1:	C-3:C-2:	C-4:N-3:N-2:	N-2:N-1:	N(CCN)(CN)	C(CH3)(NCC)(NC)	C(NC)(N)	N(CCN)(CN)	C(CH3)(NCC)(NC)	C(NC)(N)	119.4680	0.000	1	119.4680	0.000	1	120.2505	1.225	2	120.2505	1.225	2	119.9653	8.706	33	119.9653	8.706	33
941	930	984	0:SP2_SP-NON_SP2	N	C	Ga	4:3:	3:3:2:	2:1:1:1:	Ga-4:C-3:	N-3:N-3:N-2:	N-2:H-1:H-1:H-1:	N(GaH3)(CNN)	C(NCC)2(NGa)	Ga(NC)(H)3	N(GaH3)(CNN)	C(NCC)2(NGa)	Ga(NC)(H)3	130.6200	0.000	1	130.6200	0.000	1	130.6200	0.000	1	130.6200	0.000	1	130.6200	0.000	1	130.6200	0.000	1
941	930	992	0:SP2_SP2_SP3	N	C	P	3:4:	3:2:1:	4:4:4:2:	C-3:P-4:	C[6a]-3:N-2:H-1:	B-4:C-4:C-4:N-2:	N(CC[6a]H)(PBCC)	C(C[6a]C[6a]2)(NP)(H)	P(BH3)(CC3)(CH3)(NC)	N(CC[6a]H)(PBCC)	C(C[6a]C[6a]2)(NP)(H)	P(BH3)(CC3)(CH3)(NC)	119.1520	0.000	1	119.1520	0.000	1	119.1520	0.000	1	119.1520	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	3:4:	3:2:2:	2:2:1:1:	C-3:P-4:	C[6a]-3:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(CC[6a]N)(PCl2N)	C(C[6a]C[6a]2)(NP)2	P(NC)2(Cl)2	N(CC[6a]N)(PCl2N)	C(C[6a]C[6a]2)(NP)2	P(NC)2(Cl)2	137.2765	3.478	2	137.2765	12.098	2	137.2765	12.098	2	137.2765	12.098	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	3:4:	3:2:2:	2:2:2:1:	C-3:P-4:	C[6a]-3:N-2:N-2:	N-2:N-2:N-2:Cl-1:	N(CC[6a]N)(PClNN)	C(C[6a]C[6a]2)(NP)2	P(NC)2(NP)(Cl)	N(CC[6a]N)(PClNN)	C(C[6a]C[6a]2)(NP)2	P(NC)2(NP)(Cl)	128.9815	5.701	2	128.9815	32.506	2	128.9815	32.506	2	128.9815	32.506	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	3:4:	3:2:2:	2:2:2:2:	C-3:P-4:	N[6]-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(CN[6]S)(POOS)	C(N[6]C[6]2)(SCu)(NP)	P(SCu)(NC)(OC)2	N(CN[6]S)(POOS)	C(N[6]C[6]2)(SCu)(NP)	P(SCu)(NC)(OC)2	131.5480	0.000	1	131.5480	0.000	1	131.5480	0.000	1	131.5480	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	3:4:	3:2:2:	4:4:2:2:	C-3:P-4:	N[5]-3:O-2:N-2:	C-4:C-4:S-2:N-2:	N(CN[5]O)(PCCS)	C(N[5]C[5]2)(OZn)(NP)	P(CCCH)2(SZn)(NC)	N(CN[5]O)(PCCS)	C(N[5]C[5]2)(OZn)(NP)	P(CCCH)2(SZn)(NC)	126.8095	0.223	2	126.8095	0.050	2	126.8095	0.050	2	130.9092	22.570	4	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	3:4:	3:2:2:	4:4:2:2:	C-3:P-4:	N[6]-3:S-2:N-2:	C-4:C-4:O-2:N-2:	N(CN[6]S)(PCCO)	C(N[6]C[6]2)(SZn)(NP)	P(CCCH)2(OZn)(NC)	N(CN[6]S)(PCCO)	C(N[6]C[6]2)(SZn)(NP)	P(CCCH)2(OZn)(NC)	135.0090	0.655	2	135.0090	0.429	2	135.0090	0.429	2	130.9092	22.570	4	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	2:2:1:	2:1:1:1:	P-4:C-3:	N-2:N-2:Cl-1:	N-2:Cl-1:Cl-1:Cl-1:	N(PCl3)(CClN)	C(NP)2(Cl)	P(NC)(Cl)3	N(PCl3)(CClN)	C(NP)2(Cl)	P(NC)(Cl)3	130.2657	5.112	4	130.2657	26.136	4	130.2657	26.136	4	130.2657	26.136	4	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	2:2:1:	2:2:1:1:	P-4:C-3:	N-2:N-2:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(CClN)	C(NP)2(Cl)	P(NC)(NP)(Cl)2	N(PCl2N)(CClN)	C(NP)2(Cl)	P(NC)(NP)(Cl)2	127.3145	6.137	2	127.3145	37.663	2	127.3145	37.663	2	127.3145	37.663	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	2:2:1:	2:2:2:1:	P-4:C-3:	N-2:N-2:S-1:	N-2:O-2:O-2:S-1:	N(POOS)(CNS)	C(NC[6a])(NP)(S)	P(NC)(OC)2(S)	N(POOS)(CNS)	C(NC[6a])(NP)(S)	P(NC)(OC)2(S)	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	2:2:2:	2:2:2:2:	P-4:C-3:	N-2:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a])(SCd)(NP)	P(SCd)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a])(SCd)(NP)	P(SCd)(NC)(OC)2	127.1830	0.000	1	127.1830	0.000	1	127.1830	0.000	1	128.0850	1.627	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	2:2:2:	2:2:2:2:	P-4:C-3:	S-2:N-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(SCu)(NC)(NP)	P(SCu)(NC)(OC)2	N(POOS)(CNS)	C(SCu)(NC)(NP)	P(SCu)(NC)(OC)2	128.9870	0.000	1	128.9870	0.000	1	128.9870	0.000	1	128.0850	1.627	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:1:	2:2:2:1:	P-4:C-3:	N-3:N-2:S-1:	N-2:O-2:O-2:S-1:	N(POOS)(CNS)	C(NCH)(NP)(S)	P(NC)(OC)2(S)	N(POOS)(CNS)	C(NCH)(NP)(S)	P(NC)(OC)2(S)	128.2080	0.000	1	128.2080	0.000	1	128.2080	0.000	1	128.2080	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:1:	3:3:2:1:	P-4:C-3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-2:S-1:	N(PC[6a]2S)(CC[6a]H)	C(C[6a]C[6a]2)(NP)(H)	P(C[6a]C[6a]2)2(NC)(S)	N(PC[6a]2S)(CC[6a]H)	C(C[6a]C[6a]2)(NP)(H)	P(C[6a]C[6a]2)2(NC)(S)	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:1:	3:3:3:2:	P-4:C-3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(NP)(O)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(NP)(O)	P(C[6a]C[6a]2)3(NC)	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NCC)(SCu)(NP)	P(SCu)(NC)(OC)2	N(POOS)(CNS)	C(NCC)(SCu)(NP)	P(SCu)(NC)(OC)2	129.9270	0.000	1	129.9270	0.000	1	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NCC)(SNi)(NP)	P(SNi)(NC)(OC)2	N(POOS)(CNS)	C(NCC)(SNi)(NP)	P(SNi)(NC)(OC)2	125.2530	0.000	1	125.2530	0.000	1	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NCH)(SCu)(NP)	P(SCu)(NC)(OC)2	N(POOS)(CNS)	C(NCH)(SCu)(NP)	P(SCu)(NC)(OC)2	128.0380	2.667	3	128.0380	7.113	3	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NCH)(SNi)(NP)	P(SNi)(NC)(OC)2	N(POOS)(CNS)	C(NCH)(SNi)(NP)	P(SNi)(NC)(OC)2	125.2150	0.000	1	125.2150	0.000	1	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a]H)(SCd)(NP)	P(SCd)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a]H)(SCd)(NP)	P(SCd)(NC)(OC)2	128.5670	0.000	1	128.5670	0.000	1	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a]H)(SCo)(NP)	P(SCo)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a]H)(SCo)(NP)	P(SCo)(NC)(OC)2	126.8430	1.345	2	126.8430	1.809	2	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a]H)(SCu)(NP)	P(SCu)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a]H)(SCu)(NP)	P(SCu)(NC)(OC)2	128.3520	3.331	4	128.3520	11.094	4	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a]H)(SNi)(NP)	P(SNi)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a]H)(SNi)(NP)	P(SNi)(NC)(OC)2	122.7160	0.124	2	122.7160	0.015	2	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a]H)(SPd)(NP)	P(SPd)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a]H)(SPd)(NP)	P(SPd)(NC)(OC)2	128.0135	0.722	2	128.0135	0.521	2	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	2:2:2:2:	P-4:C-3:	N-3:S-2:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NHN)(SAg)(NP)	P(SAg)(NC)(OC)2	N(POOS)(CNS)	C(NHN)(SAg)(NP)	P(SAg)(NC)(OC)2	125.5720	0.000	1	125.5720	0.000	1	127.0667	6.966	18	127.0667	6.966	18	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	3:3:2:1:	P-4:C-3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:N-2:Cl-1:	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NC)(NP)	P(C[6a]C[6a]2)2(NC)(Cl)	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NC)(NP)	P(C[6a]C[6a]2)2(NC)(Cl)	132.7310	0.000	1	132.7310	0.000	1	132.7310	0.000	1	132.7310	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:2:2:	3:3:3:2:	P-4:C-3:	C[6]-3:O-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CC[6]O)	C(C[6]C[6]N[6])(ORu)(NP)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CC[6]O)	C(C[6]C[6]N[6])(ORu)(NP)	P(C[6a]C[6a]2)3(NC)	122.6325	0.336	2	122.6325	0.113	2	122.6325	0.113	2	122.6325	0.113	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	2:2:2:2:	P-4:C-3:	N-3:N-3:N-2:	N-2:N-2:N-2:N-2:	N(PN3)(CNN)	C(NCC)2(NP)	P(NC)4	N(PN3)(CNN)	C(NCC)2(NP)	P(NC)4	132.2692	3.183	6	132.2692	10.130	6	132.2692	10.130	6	130.9153	16.717	8	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	2:2:2:2:	P-4:C-3:	N-3:S-3:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(NC[6a]H)(SCu2)(NP)	P(SCu)(NC)(OC)2	N(POOS)(CNS)	C(NC[6a]H)(SCu2)(NP)	P(SCu)(NC)(OC)2	126.8535	4.730	2	126.8535	22.371	2	126.8535	22.371	2	130.9153	16.717	8	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	3:2:2:2:	P-4:C-3:	N-3:N-3:N-2:	N-3:N-2:N-2:N-2:	N(PN3)(CNN)	C(NCC)2(NP)	P(NCH)(NC)3	N(PN3)(CNN)	C(NCC)2(NP)	P(NCH)(NC)3	130.8627	0.819	3	130.8627	0.671	3	130.8627	0.671	3	130.8627	0.671	3	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	3:3:2:1:	P-4:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-2:O-1:	N(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(COO)(NP)	P(C[6a]C[6a]2)2(NC)(O)	N(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(COO)(NP)	P(C[6a]C[6a]2)2(NC)(O)	127.3010	2.918	3	127.3010	8.512	3	127.3010	8.512	3	130.5682	28.523	5	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	3:3:2:1:	P-4:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:N-2:Cl-1:	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NP)	P(C[6a]C[6a]2)2(NC)(Cl)	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(NP)	P(C[6a]C[6a]2)2(NC)(Cl)	132.5530	0.000	1	132.5530	0.000	1	135.4690	17.006	2	130.5682	28.523	5	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	3:3:2:1:	P-4:C-3:	C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:N-2:Cl-1:	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(NP)	P(C[6a]C[6a]2)2(NC)(Cl)	N(PC[6a]2Cl)(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(NP)	P(C[6a]C[6a]2)2(NC)(Cl)	138.3850	0.000	1	138.3850	0.000	1	135.4690	17.006	2	130.5682	28.523	5	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	3:3:2:	3:3:3:2:	P-4:C-3:	C-3:C-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CCC)	C(CC[6a]H)(COO)(NP)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CCC)	C(CC[6a]H)(COO)(NP)	P(C[6a]C[6a]2)3(NC)	130.0995	1.084	6	130.0995	1.174	6	130.0995	1.174	6	130.0995	1.174	6	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	4:2:1:	2:2:2:1:	P-4:C-3:	C-4:N-2:O-1:	N-2:N-2:N-2:O-1:	N(PNNO)(CCO)	C(CCl3)(NP)(O)	P(NC[6a])2(NC)(O)	N(PNNO)(CCO)	C(CCl3)(NP)(O)	P(NC[6a])2(NC)(O)	123.1770	0.000	1	123.1770	0.000	1	123.1770	0.000	1	123.1770	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	4:2:1:	3:3:2:1:	P-4:C-3:	C-4:N-2:O-1:	N-3:N-3:N-2:O-1:	N(PNNO)(CCO)	C(CClHH)(NP)(O)	P(NCC)2(NC)(O)	N(PNNO)(CCO)	C(CClHH)(NP)(O)	P(NCC)2(NC)(O)	130.6670	0.000	1	130.6670	0.000	1	127.0675	25.913	2	127.0675	25.913	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	4:2:1:	3:3:2:1:	P-4:C-3:	C-4:N-2:O-1:	N-3:N-3:N-2:O-1:	N(PNNO)(CCO)	C(CF3)(NP)(O)	P(NC[6]C)2(NC)(O)	N(PNNO)(CCO)	C(CF3)(NP)(O)	P(NC[6]C)2(NC)(O)	123.4680	0.000	1	123.4680	0.000	1	127.0675	25.913	2	127.0675	25.913	2	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	4:2:1:	3:3:3:2:	P-4:C-3:	C-4:N-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CCO)	C(CCl3)(NP)(O)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CCO)	C(CCl3)(NP)(O)	P(C[6a]C[6a]2)3(NC)	117.6890	0.000	1	117.6890	0.000	1	117.6890	0.000	1	117.6890	0.000	1	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	4:3:2:	2:2:2:2:	P-4:C-3:	S-4:N-3:N-2:	S-2:N-2:O-2:O-2:	N(POOS)(CNS)	C(SCu3)(NCH)(NP)	P(SCu)(NC)(OC)2	N(POOS)(CNS)	C(SCu3)(NCH)(NP)	P(SCu)(NC)(OC)2	131.4480	0.582	8	131.4480	0.339	8	131.4480	0.339	8	131.4480	0.339	8	128.8811	19.949	80	128.8811	19.949	80
941	930	992	0:SP2_SP2_SP3	N	C	P	4:3:	4:3:2:	3:3:3:2:	P-4:C-3:	C-4:N-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CCN)	C(CCHH)(NPtH)(NP)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CCN)	C(CCHH)(NPtH)(NP)	P(C[6a]C[6a]2)3(NC)	130.5797	5.990	3	130.5797	35.878	3	130.5797	35.878	3	130.5797	35.878	3	128.8811	19.949	80	128.8811	19.949	80
941	931	983	0:SP2_SP1_SPD5	N	Si[5,5]	C	5:2:	3:3:3:2:2:	2:1:	Si[5,5]-5:C-2:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:N-2:	N-2:O-1:	N(Si[5,5]N[5,5]N[5,6]C[6a]S[5])(CO)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC)	C(NSi[5,5])(O)	N(Si[5,5]N[5,5]N[5,6]C[6a]S[5])(CO)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC){5|H<1>,6|C<3>}	C(NSi[5,5])(O)	158.5400	0.000	1	158.5400	0.000	1	158.5400	0.000	1	164.0293	78.371	3	164.0293	78.371	3	164.0293	78.371	3
941	931	983	0:SP2_SP1_SPD5	N	Si[5,5]	C	5:2:	3:3:3:2:2:	2:1:	Si[5,5]-5:C-2:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:N-2:	N-2:S-1:	N(Si[5,5]N[5,5]N[5,6]C[6a]S[5])(CS)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC)	C(NSi[5,5])(S)	N(Si[5,5]N[5,5]N[5,6]C[6a]S[5])(CS)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC){5|H<1>,6|C<3>}	C(NSi[5,5])(S)	166.7740	10.561	2	166.7740	111.542	2	166.7740	111.542	2	164.0293	78.371	3	164.0293	78.371	3	164.0293	78.371	3
941	940	941	0:SP2_SP-NON_SP2	N	P	N	2:2:	3:2:	2:1:	N-2:P-2:	N-3:N-2:	N-2:N-1:	N(NN)(PN)	P(NCC)(NN)	N(NP)(N)	N(NN)(PN)	P(NCC)(NN)	N(NP)(N)	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1
941	940	983	0:SP2_SP-NON_SP1	N	P	C	2:2:	3:2:	2:1:	C-2:P-2:	N-3:N-2:	N-2:O-1:	N(CO)(PN)	P(NSi2)(NC)	C(NP)(O)	N(CO)(PN)	P(NSi2)(NC)	C(NP)(O)	136.2000	0.000	1	136.2000	0.000	1	136.2000	0.000	1	139.7065	24.591	2	139.7065	24.591	2	139.7065	24.591	2
941	940	983	0:SP2_SP-NON_SP1	N	P	C	2:2:	3:2:	2:1:	C-2:P-2:	N-3:N-2:	N-2:S-1:	N(CS)(PN)	P(NSi2)(NC)	C(NP)(S)	N(CS)(PN)	P(NSi2)(NC)	C(NP)(S)	143.2130	0.000	1	143.2130	0.000	1	143.2130	0.000	1	139.7065	24.591	2	139.7065	24.591	2	139.7065	24.591	2
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C[5]-3:N-2:	C[5]-3:N-2:	N(NC[5])2	N(C[5]N[5]2)(NN)	N(C[5]N[5]2)(NN)	N(NC[5])2	N(C[5]N[5]2)(NN)	N(C[5]N[5]2)(NN)	108.8485	0.801	4	108.8485	0.641	4	108.8485	0.641	4	110.6470	2.855	23	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C[6a]-3:N-2:	C[5]-3:N-2:	N(NC[6a])(NC[5])	N(C[6a]C[6a]2)(NN)	N(C[5]N[5]2)(NN)	N(NC[6a])(NC[5])	N(C[6a]C[6a]2)(NN)	N(C[5]N[5]2)(NN)	110.9942	0.681	6	110.9942	0.464	6	110.9942	0.464	6	110.6470	2.855	23	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C[6a]-3:N-2:	C[6a]-3:N-2:	N(NC[6a])2	N(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(NN)	N(NC[6a])2	N(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(NN)	111.0401	1.891	13	111.0401	3.574	13	111.0401	3.574	13	110.6470	2.855	23	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	3:2:	4:2:	N-2:N-2:	C[6a]-3:N-2:	P-4:N-2:	N(NC[6a])(NP)	N(C[6a]C[6a]2)(NN)	N(PC[5]CC)(NN)	N(NC[6a])(NP)	N(C[6a]C[6a]2)(NN)	N(PC[5]CC)(NN)	112.9210	0.000	1	112.9210	0.000	1	112.9700	0.005	2	112.9700	0.005	2	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	3:2:	4:2:	N-2:N-2:	C[6a]-3:N-2:	P-4:N-2:	N(NC[6a])(NP)	N(C[6a]C[6a]2)(NN)	N(PN[6]CC)(NN)	N(NC[6a])(NP)	N(C[6a]C[6a]2)(NN)	N(PN[6]CC)(NN)	113.0190	0.000	1	113.0190	0.000	1	112.9700	0.005	2	112.9700	0.005	2	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	4:2:	4:2:	N-2:N-2:	B-4:N-2:	B-4:N-2:	N(NB)2	N(BC[6a]3)(NN)	N(BC[6a]3)(NN)	N(NB)2	N(BC[6a]3)(NN)	N(BC[6a]3)(NN)	172.2240	0.000	1	172.2240	0.000	1	172.2240	0.000	1	122.2363	600.570	6	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	4:2:	4:2:	N-2:N-2:	C[6]-4:N-2:	P-4:N-2:	N(NC[6])(NP)	N(C[6]C[6]2H)(NN)	N(PN3)(NN)	N(NC[6])(NP)	N(C[6]C[6]2H)(NN)	N(PN3)(NN)	112.9573	0.323	3	112.9573	0.105	3	112.9573	0.105	3	122.2363	600.570	6	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	4:2:	4:2:	N-2:N-2:	P-4:N-2:	P-4:N-2:	N(NP)2	N(PC3)(NN)	N(PC3)(NN)	N(NP)2	N(PC3)(NN)	N(PC3)(NN)	110.8100	0.000	1	110.8100	0.000	1	111.1610	0.246	2	122.2363	600.570	6	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	4:2:	4:2:	N-2:N-2:	P-4:N-2:	P-4:N-2:	N(NP)2	N(PN3)(NN)	N(PN3)(NN)	N(NP)2	N(PN3)(NN)	N(PN3)(NN)	111.5120	0.000	1	111.5120	0.000	1	111.1610	0.246	2	122.2363	600.570	6	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	5:2:	4:2:	N-2:N-2:	C[3x3,4,3x5,14x6]-5:N-2:	P-4:N-2:	N(NC[3x3,4,3x5,14x6])(NP)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NN)	N(PC[6a]3)(NN)	N(NC[3x3,4,3x5,14x6])(NP)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NN)	N(PC[6a]3)(NN)	116.2130	0.000	1	116.2130	0.000	1	116.2130	0.000	1	145.4525	1709.897	2	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	5:2:	4:2:	N-2:N-2:	Nb[6]-5:N-2:	B-4:N-2:	N(NNb[6])(NB)	N(Nb[6]C[6a]N[6]2N)(NN)	N(BC[6a]3)(NN)	N(NNb[6])(NB)	N(Nb[6]C[6a]N[6]2N)(NN)	N(BC[6a]3)(NN)	174.6920	0.000	1	174.6920	0.000	1	174.6920	0.000	1	145.4525	1709.897	2	114.8947	224.303	34	114.8947	224.303	34
941	941	941	0:SP2_SP2_SP2	N	N	N	2:2:	6:2:	4:2:	N-2:N-2:	C[5x3,5x5,20x6]-6:N-2:	P-4:N-2:	N(NC[5x3,5x5,20x6])(NP)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NN)	N(PC[6a]3)(NN)	N(NC[5x3,5x5,20x6])(NP)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NN)	N(PC[6a]3)(NN)	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	114.8947	224.303	34	114.8947	224.303	34
941	941	943	0:SP2_SP-NON_SP2	N	N	Ga[6]	4:2:	2:1:	3:3:3:2:	Ga[6]-4:N-2:	N-2:N-1:	N[6]-3:N[6]-3:N-3:N-2:	N(Ga[6]N[6]2N)(NN)	N(NGa[6])(N)	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N(Ga[6]N[6]2N)(NN)	N(NGa[6])(N)	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1
941	941	945	0:SP2_SP2_SP3	N	N	P	3:2:	2:1:	3:2:2:	P-3:N-2:	N-2:N-1:	C[5]-3:N-2:N-2:	N(PC[5]N)(NN)	N(NP)(N)	P(C[5]N[5]2)(NN)2	N(PC[5]N)(NN)	N(NP)(N)	P(C[5]N[5]2)(NN)2	116.6250	0.417	2	116.6250	0.174	2	116.6250	0.174	2	116.6250	0.174	2	116.6250	0.174	2	116.6250	0.174	2
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	2:1:	2:	N-2:H-1:	N-2:H-1:	N-2:	N(NH)(H)	N(NH)(H)	H(NN)	N(NH)(H)	N(NH)(H)	H(NN)	103.9112	25.321	2	103.9112	641.164	2	103.9112	641.164	2	106.1781	171.642	5	107.5153	87.957	10	107.5153	87.957	10
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	2:1:	2:	N-2:H-1:	N-2:N-1:	N-2:	N(NN)(H)	N(NH)(N)	H(NN)	N(NN)(H)	N(NH)(N)	H(NN)	107.6893	3.760	3	107.6893	14.137	3	107.6893	14.137	3	106.1781	171.642	5	107.5153	87.957	10	107.5153	87.957	10
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	3:2:	2:	N-2:H-1:	C-3:N-2:	N-2:	N(NC)(H)	N(CCO)(NH)	H(NN)	N(NC)(H)	N(CCO)(NH)	H(NN)	111.5200	0.000	1	111.5200	0.000	1	108.8526	21.790	5	108.8526	21.790	5	107.5153	87.957	10	107.5153	87.957	10
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	3:2:	2:	N-2:H-1:	C-3:N-2:	N-2:	N(NC)(H)	N(CC[5]C)(NH)	H(NN)	N(NC)(H)	N(CC[5]C)(NH)	H(NN)	115.3330	0.000	1	115.3330	0.000	1	108.8526	21.790	5	108.8526	21.790	5	107.5153	87.957	10	107.5153	87.957	10
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	3:2:	2:	N-2:H-1:	C-3:N-2:	N-2:	N(NC)(H)	N(CC[5a]N)(NH)	H(NN)	N(NC)(H)	N(CC[5a]N)(NH)	H(NN)	103.2130	0.000	1	103.2130	0.000	1	108.8526	21.790	5	108.8526	21.790	5	107.5153	87.957	10	107.5153	87.957	10
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	3:2:	2:	N-2:H-1:	C-3:N-2:	N-2:	N(NC)(H)	N(CC[6a]O)(NH)	H(NN)	N(NC)(H)	N(CC[6a]O)(NH)	H(NN)	106.8840	0.000	1	106.8840	0.000	1	108.8526	21.790	5	108.8526	21.790	5	107.5153	87.957	10	107.5153	87.957	10
941	941	951	0:SP2_SP-NON_SP2	N	N	H	2:1:	3:2:	2:	N-2:H-1:	C-3:N-2:	N-2:	N(NC)(H)	N(CNN)(NH)	H(NN)	N(NC)(H)	N(CNN)(NH)	H(NN)	107.3130	0.000	1	107.3130	0.000	1	108.8526	21.790	5	108.8526	21.790	5	107.5153	87.957	10	107.5153	87.957	10
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	2:1:1:1:	S-4:N-2:	N-2:N-1:	N-2:F-1:O-1:O-1:	N(SFOO)(NN)	N(NS)(N)	S(NN)(F)(O)2	N(SFOO)(NN)	N(NS)(N)	S(NN)(F)(O)2	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	2:2:1:1:	S-4:N-2:	N-2:N-1:	N-2:N-2:O-1:O-1:	N(SNOO)(NN)	N(NS)(N)	S(NN)2(O)2	N(SNOO)(NN)	N(NS)(N)	S(NN)2(O)2	112.8045	0.353	4	112.8045	0.124	4	112.8045	0.124	4	112.8045	0.124	4	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	3:2:1:1:	S-4:N-2:	N-2:N-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NN)	N(NS)(N)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NN)	N(NS)(N)	S(C[6a]C[6a]2)(NN)(O)2	112.7894	0.697	9	112.7894	0.486	9	112.7894	0.486	9	112.6533	0.533	13	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	3:2:1:1:	S-4:N-2:	N-2:N-1:	N[5]-3:N-2:O-1:O-1:	N(SN[5]OO)(NN)	N(NS)(N)	S(N[5]C[5]2)(NN)(O)2	N(SN[5]OO)(NN)	N(NS)(N)	S(N[5]C[5]2)(NN)(O)2	112.7550	1.024	2	112.7550	1.048	2	112.7550	1.048	2	112.6533	0.533	13	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	3:2:1:1:	S-4:N-2:	N-2:N-1:	N[5a]-3:N-2:O-1:O-1:	N(SN[5a]OO)(NN)	N(NS)(N)	S(N[5a]C[5a,6a]N[5a])(NN)(O)2	N(SN[5a]OO)(NN)	N(NS)(N)	S(N[5a]C[5a,6a]N[5a])(NN)(O)2	111.5860	0.000	1	111.5860	0.000	1	111.9390	0.249	2	112.6533	0.533	13	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	3:2:1:1:	S-4:N-2:	N-2:N-1:	N[5a]-3:N-2:O-1:O-1:	N(SN[5a]OO)(NN)	N(NS)(N)	S(N[5a]C[5a]2)(NN)(O)2	N(SN[5a]OO)(NN)	N(NS)(N)	S(N[5a]C[5a]2)(NN)(O)2	112.2920	0.000	1	112.2920	0.000	1	111.9390	0.249	2	112.6533	0.533	13	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	4:2:1:1:	S-4:N-2:	N-2:N-1:	C-4:N-2:O-1:O-1:	N(SCOO)(NN)	N(NS)(N)	S(CCHH)(NN)(O)2	N(SCOO)(NN)	N(NS)(N)	S(CCHH)(NN)(O)2	112.9270	0.000	1	112.9270	0.000	1	112.8343	0.689	3	112.5868	0.752	5	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	4:2:1:1:	S-4:N-2:	N-2:N-1:	C-4:N-2:O-1:O-1:	N(SCOO)(NN)	N(NS)(N)	S(CF3)(NN)(O)2	N(SCOO)(NN)	N(NS)(N)	S(CF3)(NN)(O)2	111.9620	0.000	1	111.9620	0.000	1	112.8343	0.689	3	112.5868	0.752	5	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	4:2:1:1:	S-4:N-2:	N-2:N-1:	C-4:N-2:O-1:O-1:	N(SCOO)(NN)	N(NS)(N)	S(CH3)(NN)(O)2	N(SCOO)(NN)	N(NS)(N)	S(CH3)(NN)(O)2	113.6140	0.000	1	113.6140	0.000	1	112.8343	0.689	3	112.5868	0.752	5	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	2:1:	4:2:1:1:	S-4:N-2:	N-2:N-1:	C[5]-4:N-2:O-1:O-1:	N(SC[5]OO)(NN)	N(NS)(N)	S(C[5]C[5]2Fe)(NN)(O)2	N(SC[5]OO)(NN)	N(NS)(N)	S(C[5]C[5]2Fe)(NN)(O)2	112.2155	1.083	2	112.2155	1.172	2	112.2155	1.172	2	112.5868	0.752	5	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC)	N(CC[5,6]H)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC)	N(CC[5,6]H)(NS)	S(C[6a]C[6a]2)(NN)(O)2	114.8125	1.085	2	114.8125	1.178	2	115.4551	3.944	9	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC)	N(CC[6]H)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC)	N(CC[6]H)(NS)	S(C[6a]C[6a]2)(NN)(O)2	116.3320	3.449	2	116.3320	11.897	2	115.4551	3.944	9	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC)	N(CC[6a]2)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC)	N(CC[6a]2)(NS)	S(C[6a]C[6a]2)(NN)(O)2	116.6747	0.805	3	116.6747	0.648	3	115.4551	3.944	9	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC)	N(CC[6a]O)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC)	N(CC[6a]O)(NS)	S(C[6a]C[6a]2)(NN)(O)2	112.4320	0.000	1	112.4320	0.000	1	115.4551	3.944	9	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC)	N(CC[6a]P)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC)	N(CC[6a]P)(NS)	S(C[6a]C[6a]2)(NN)(O)2	114.3510	0.000	1	114.3510	0.000	1	115.4551	3.944	9	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C[5]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC[5])	N(C[5]C[5,6]C[5])(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC[5])	N(C[5]C[5,6]C[5])(NS)	S(C[6a]C[6a]2)(NN)(O)2	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	952	0:SP2_SP2_SP3	N	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C[6]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(NC[6])	N(C[6]C[6]2)(NS)	S(C[6a]C[6a]2)(NN)(O)2	N(SC[6a]OO)(NC[6])	N(C[6]C[6]2)(NS)	S(C[6a]C[6a]2)(NN)(O)2	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	115.1031	3.769	11	113.4660	2.767	34	113.4660	2.767	34
941	941	956	0:SP2_SP2_SP2	N	N	N	2:3:	3:2:	4:4:2:	N-2:N-3:	C[6a]-3:N-2:	C-4:C-4:N-2:	N(NC[6a])(NCC)	N(C[6a]C[6a,6a]C[6a])(NN)	N(CCCH)2(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a,6a]C[6a])(NN)	N(CCCH)2(NN)	115.1680	0.000	1	115.1680	0.000	1	115.0938	1.805	9	115.0509	1.623	10	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	2:3:	3:2:	4:4:2:	N-2:N-3:	C[6a]-3:N-2:	C-4:C-4:N-2:	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	N(CCCH)2(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	N(CCCH)2(NN)	116.0126	0.572	5	116.0126	0.327	5	115.0938	1.805	9	115.0509	1.623	10	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	2:3:	3:2:	4:4:2:	N-2:N-3:	C[6a]-3:N-2:	C-4:C-4:N-2:	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	N(CCHH)2(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	N(CCHH)2(NN)	113.5377	0.905	3	113.5377	0.819	3	115.0938	1.805	9	115.0509	1.623	10	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	2:3:	3:2:	4:4:2:	N-2:N-3:	C[6a]-3:N-2:	C-4:P-4:N-2:	N(NC[6a])(NCP)	N(C[6a]C[6a]2)(NN)	N(CHHN)(PCCN)(NN)	N(NC[6a])(NCP)	N(C[6a]C[6a]2)(NN)	N(CHHN)(PCCN)(NN)	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	115.0509	1.623	10	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	2:3:	4:2:	4:4:2:	N-2:N-3:	C[4]-4:N-2:	C-4:C-4:N-2:	N(NC[4])(NCC)	N(C[4]C[4]2Ru)(NN)	N(CCCH)2(NN)	N(NC[4])(NCC)	N(C[4]C[4]2Ru)(NN)	N(CCCH)2(NN)	114.4400	1.427	2	114.4400	2.036	2	114.4400	2.036	2	114.4400	2.036	2	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	3:2:	3:2:1:	N-3:N-2:	C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(NC[5a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(NN)	N(C[5a]N[5a]S[5a])(NN)(H)	N(NC[5a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(NN)	N(C[5a]N[5a]S[5a])(NN)(H)	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	112.2695	1.244	21	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	3:2:	3:2:1:	N-3:N-2:	C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(NN)(H)	112.4369	0.831	20	112.4369	0.690	20	112.4369	0.690	20	112.2695	1.244	21	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	3:2:	3:3:2:	N-3:N-2:	C[6a]-3:N-2:	B[6]-3:B-3:N-2:	N(NB[6]B)(NC[6a])	N(C[6a]C[6a]2)(NN)	N(B[6]C[6]N[6])(BC[6a]2)(NN)	N(NB[6]B)(NC[6a])	N(C[6a]C[6a]2)(NN)	N(B[6]C[6]N[6])(BC[6a]2)(NN)	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	3:2:	3:4:2:	N-3:N-2:	C[5]-3:N-2:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(NC[5])	N(C[5]N[5]2)(NN)	N(C[6a]C[6a]2)(CH3)(NN)	N(NC[6a]C)(NC[5])	N(C[5]N[5]2)(NN)	N(C[6a]C[6a]2)(CH3)(NN)	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.1437	0.029	3	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	3:2:	3:4:2:	N-3:N-2:	N-3:N-2:	C[5a]-3:C-4:N-2:	N(NC[5a]C)(NN)	N(NC[5a]C)(NN)	N(C[5a]N[5a]2)(CH3)(NN)	N(NC[5a]C)(NN)	N(NC[5a]C)(NN)	N(C[5a]N[5a]2)(CH3)(NN)	111.0485	0.059	2	111.0485	0.003	2	111.0485	0.003	2	111.1437	0.029	3	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	3:2:	4:4:2:	N-3:N-2:	C-3:N-2:	C-4:C-4:N-2:	N(NCC)(NC)	N(CCH)(NN)	N(CCCH)2(NN)	N(NCC)(NC)	N(CCH)(NN)	N(CCCH)2(NN)	115.6320	0.000	1	115.6320	0.000	1	115.6320	0.000	1	115.6320	0.000	1	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP2	N	N	N	3:2:	4:2:	3:4:2:	N-3:N-2:	C[6]-4:N-2:	C[6a]-3:C-4:N-2:	N(NC[6a]C)(NC[6])	N(C[6]C[6]2C)(NN)	N(C[6a]C[6a]2)(CH3)(NN)	N(NC[6a]C)(NC[6])	N(C[6]C[6]2C)(NN)	N(C[6a]C[6a]2)(CH3)(NN)	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	113.1435	3.137	39	113.1435	3.137	39
941	941	956	0:SP2_SP2_SP3	N	N	N	3:2:	3:2:	3:2:1:	N-3:N-2:	C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(NN)(H)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	N(C[6a]C[6a]2)(NN)(H)	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.5725	0.056	2	111.5725	0.056	2
941	941	956	0:SP2_SP2_SP3	N	N	N	3:2:	3:2:	3:4:2:	N-3:N-2:	N-3:N-2:	C[5a]-3:C-4:N-2:	N(NC[5a]C)(NN)	N(NC[5a]C)(NN)	N(C[5a]N[5a]2)(CH3)(NN)	N(NC[5a]C)(NN)	N(NC[5a]C)(NN)	N(C[5a]N[5a]2)(CH3)(NN)	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.5725	0.056	2	111.5725	0.056	2
941	941	964	0:SP2_SP2_SPD6	N	N	Si[4,5]	6:2:	2:1:	3:2:3:3:2:2:	Si[4,5]-6:N-2:	N-2:N-1:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	N(NSi[4,5])(N)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	N(NSi[4,5])(N)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	121.1845	2.958	2	121.1845	8.749	2	121.1845	8.749	2	121.1845	8.749	2	121.1845	8.749	2	121.1845	8.749	2
941	941	983	0:SP2_SP1_SP2	N	N	C	2:2:	2:2:	3:2:	C-2:N-2:	C-2:N-2:	C[6]-3:N-2:	N(CC[6])(NC)	N(CC[6])(NC)	C(C[6]C[6]2)(NN)	N(CC[6])(NC)	N(CC[6])(NC)	C(C[6]C[6]2)(NN)	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.1390	0.064	2	112.1390	0.064	2
941	941	983	0:SP2_SP1_SP2	N	N	C	2:2:	2:2:	4:2:	C-2:N-2:	C-2:N-2:	C-4:N-2:	N(CC)(NC)	N(CC)(NC)	C(CH3)(NN)	N(CC)(NC)	N(CC)(NC)	C(CH3)(NN)	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	112.1390	0.064	2	112.1390	0.064	2
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:1:	2:1:1:1:	P-4:N-2:	N-2:N-1:	N-2:F-1:F-1:O-1:	N(PFFO)(NN)	N(NP)(N)	P(NN)(F)2(O)	N(PFFO)(NN)	N(NP)(N)	P(NN)(F)2(O)	117.9570	0.905	2	117.9570	0.819	2	117.9570	0.819	2	117.9570	0.819	2	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:1:	2:2:2:1:	P-4:N-2:	N-2:N-1:	N-2:N-2:N-2:O-1:	N(PNNO)(NN)	N(NP)(N)	P(NN)3(O)	N(PNNO)(NN)	N(NP)(N)	P(NN)3(O)	118.4903	1.590	3	118.4903	2.527	3	118.4903	2.527	3	117.7412	1.756	6	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:1:	2:2:2:1:	P-4:N-2:	N-2:N-1:	N-2:N-2:N-2:S-1:	N(PNNS)(NN)	N(NP)(N)	P(NN)3(S)	N(PNNS)(NN)	N(NP)(N)	P(NN)3(S)	116.9920	0.423	3	116.9920	0.179	3	116.9920	0.179	3	117.7412	1.756	6	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:1:	3:3:3:2:	P-4:N-2:	N-2:N-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(NN)	N(NP)(N)	P(C[6a]C[6a]2)3(NN)	N(PC[6a]3)(NN)	N(NP)(N)	P(C[6a]C[6a]2)3(NN)	119.5010	1.962	2	119.5010	3.848	2	119.5010	3.848	2	119.5010	3.848	2	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:3:3:2:	P-4:N-2:	N-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(NN)	N(NC[3x3,4,3x5,14x6])(NP)	P(C[6a]C[6a]2)3(NN)	N(PC[6a]3)(NN)	N(NC[3x3,4,3x5,14x6])(NP)	P(C[6a]C[6a]2)3(NN)	118.5120	0.000	1	118.5120	0.000	1	114.6335	30.086	2	113.0585	23.654	8	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:3:3:2:	P-4:N-2:	N-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(NN)	N(NC[5x3,5x5,20x6])(NP)	P(C[6a]C[6a]2)3(NN)	N(PC[6a]3)(NN)	N(NC[5x3,5x5,20x6])(NP)	P(C[6a]C[6a]2)3(NN)	110.7550	0.000	1	110.7550	0.000	1	114.6335	30.086	2	113.0585	23.654	8	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:3:3:2:	P-4:N-2:	N-2:N-2:	N-3:N-3:N-3:N-2:	N(PN3)(NN)	N(NC[6])(NP)	P(NCC)3(NN)	N(PN3)(NN)	N(NC[6])(NP)	P(NCC)3(NN)	112.0907	1.686	3	112.0907	2.843	3	114.2468	10.204	5	113.0585	23.654	8	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:3:3:2:	P-4:N-2:	N-2:N-2:	N-3:N-3:N-3:N-2:	N(PN3)(NN)	N(NP)2	P(NCC)3(NN)	N(PN3)(NN)	N(NP)2	P(NCC)3(NN)	117.4810	0.512	2	117.4810	0.262	2	114.2468	10.204	5	113.0585	23.654	8	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:3:3:2:	P-4:N-2:	N-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(NO)	N(NP)(OB)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NN)	N(PC[6a]3)(NO)	N(NP)(OB)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NN)	103.9670	0.000	1	103.9670	0.000	1	103.9670	0.000	1	113.0585	23.654	8	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:4:4:2:	P-4:N-2:	N-2:N-2:	C[5]-3:C-4:C-4:N-2:	N(PC[5]CC)(NN)	N(NC[6a])(NP)	P(C[5]C[5]2)(CCCH)2(NN)	N(PC[5]CC)(NN)	N(NC[6a])(NP)	P(C[5]C[5]2)(CCCH)2(NN)	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	113.4135	19.475	2	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	3:4:4:2:	P-4:N-2:	N-2:N-2:	N[6]-3:C-4:C-4:N-2:	N(PN[6]CC)(NN)	N(NC[6a])(NP)	P(N[6]C[6]2)(CC3)2(NN)	N(PN[6]CC)(NN)	N(NC[6a])(NP)	P(N[6]C[6]2)(CC3)2(NN)	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	113.4135	19.475	2	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	4:4:4:2:	P-4:N-2:	N-2:N-2:	C-4:C-4:C-4:N-2:	N(PC3)(NN)	N(NP)2	P(CC3)3(NN)	N(PC3)(NN)	N(NP)2	P(CC3)3(NN)	118.4705	0.566	2	118.4705	0.321	2	118.4705	0.321	2	115.7197	5.959	9	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	4:4:4:2:	P-4:N-2:	N-2:O-2:	C-4:C-4:C-4:N-2:	N(PC3)(NO)	N(NP)(OB)	P(CC3)3(NN)	N(PC3)(NO)	N(NP)(OB)	P(CC3)3(NN)	115.4265	1.862	4	115.4265	3.466	4	115.5366	2.660	5	115.7197	5.959	9	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	4:4:4:2:	P-4:N-2:	N-2:O-2:	C-4:C-4:C-4:N-2:	N(PC3)(NO)	N(NP)(OC)	P(CC3)3(NN)	N(PC3)(NO)	N(NP)(OC)	P(CC3)3(NN)	115.9770	0.000	1	115.9770	0.000	1	115.5366	2.660	5	115.7197	5.959	9	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	4:4:4:2:	P-4:N-2:	N-2:O-2:	C[6]-4:C[6]-4:C[6]-4:N-2:	N(PC[6]3)(NO)	N(NP)(OB)	P(C[6]C[6]2H)3(NN)	N(PC[6]3)(NO)	N(NP)(OB)	P(C[6]C[6]2H)3(NN)	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	115.7197	5.959	9	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	2:2:	4:4:4:2:	P-4:N-2:	O-2:N-2:	C-4:C-4:C-4:N-2:	N(PC3)(NO)	N(OAl)(NP)	P(CC3)3(NN)	N(PC3)(NO)	N(OAl)(NP)	P(CC3)3(NN)	115.7600	0.000	1	115.7600	0.000	1	115.7600	0.000	1	115.7197	5.959	9	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	3:2:	3:3:3:2:	P-4:N-2:	C-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(NC)	N(CCC)(NP)	P(C[6a]C[6a]2)3(NN)	N(PC[6a]3)(NC)	N(CCC)(NP)	P(C[6a]C[6a]2)3(NN)	109.3880	0.279	2	109.3880	0.078	2	111.3955	6.905	4	111.3955	6.905	4	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	3:2:	3:3:3:2:	P-4:N-2:	C-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(NC)	N(CCH)(NP)	P(C[6a]C[6a]2)3(NN)	N(PC[6a]3)(NC)	N(CCH)(NP)	P(C[6a]C[6a]2)3(NN)	113.4030	2.126	2	113.4030	4.518	2	111.3955	6.905	4	111.3955	6.905	4	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	3:2:	4:4:4:2:	P-4:N-2:	C-3:N-2:	C-4:C-4:C-4:N-2:	N(PC3)(NC)	N(CCH)(NP)	P(CC3)3(NN)	N(PC3)(NC)	N(CCH)(NP)	P(CC3)3(NN)	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	111.0615	0.266	2	114.9097	14.494	35	114.9097	14.494	35
941	941	992	0:SP2_SP2_SP3	N	N	P	4:2:	3:2:	4:4:4:2:	P-4:N-2:	C-3:N-2:	C[6]-4:C[6]-4:C[6]-4:N-2:	N(PC[6]3)(NC)	N(CCH)(NP)	P(C[6]C[6]2H)3(NN)	N(PC[6]3)(NC)	N(CCH)(NP)	P(C[6]C[6]2H)3(NN)	111.4260	0.000	1	111.4260	0.000	1	111.4260	0.000	1	111.0615	0.266	2	114.9097	14.494	35	114.9097	14.494	35
941	945	945	0:SP2_SP3_SP3	N	P	P	3:3:	2:2:1:	2:2:1:	P-3:P-3:	O-2:N-2:Cl-1:	O-2:N-2:Cl-1:	N(PClO)2	P(OC[6a])(NP)(Cl)	P(OC[6a])(NP)(Cl)	N(PClO)2	P(OC[6a])(NP)(Cl)	P(OC[6a])(NP)(Cl)	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	115.8035	59.547	2	115.8035	59.547	2
941	945	945	0:SP2_SP3_SP3	N	P	P	3:3:	4:4:2:	4:4:2:	P-3:P-3:	C-4:C-4:N-2:	C-4:C-4:N-2:	N(PCC)2	P(CCCH)2(NP)	P(CCCH)2(NP)	N(PCC)2	P(CCCH)2(NP)	P(CCCH)2(NP)	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	115.8035	59.547	2	115.8035	59.547	2
941	945	952	0:SP2_SP3_SP3	N	P	S	3:4:	3:3:2:	4:2:1:1:	P-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:O-1:O-1:	N(PC[6a]2)(SCOO)	P(C[6a]C[6a]2)2(NS)	S(CF3)(NP)(O)2	N(PC[6a]2)(SCOO)	P(C[6a]C[6a]2)2(NS)	S(CF3)(NP)(O)2	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	126.1250	136.951	2	126.1250	136.951	2
941	945	952	0:SP2_SP3_SP3	N	P	S	4:3:	2:1:1:	4:4:2:1:	S-4:P-3:	N-2:Cl-1:Cl-1:	C-4:C-4:N-2:O-1:	N(SCCO)(PCl2)	P(NS)(Cl)2	S(CH3)2(NP)(O)	N(SCCO)(PCl2)	P(NS)(Cl)2	S(CH3)2(NP)(O)	134.4000	0.000	1	134.4000	0.000	1	134.4000	0.000	1	134.4000	0.000	1	126.1250	136.951	2	126.1250	136.951	2
941	945	983	0:SP2_SP1_SP3	N	P	C	3:2:	2:1:1:	2:1:	P-3:C-2:	N-2:Cl-1:Cl-1:	N-2:O-1:	N(PCl2)(CO)	P(NC)(Cl)2	C(NP)(O)	N(PCl2)(CO)	P(NC)(Cl)2	C(NP)(O)	136.1090	0.000	1	136.1090	0.000	1	136.1090	0.000	1	136.1090	0.000	1	137.9484	88.324	5	137.9484	88.324	5
941	945	983	0:SP2_SP1_SP3	N	P	C	3:2:	2:2:1:	2:1:	P-3:C-2:	N-2:N-2:Cl-1:	N-2:O-1:	N(PClN)(CO)	P(NC)2(Cl)	C(NP)(O)	N(PClN)(CO)	P(NC)2(Cl)	C(NP)(O)	133.9170	0.000	1	133.9170	0.000	1	133.9170	0.000	1	133.9170	0.000	1	137.9484	88.324	5	137.9484	88.324	5
941	945	983	0:SP2_SP1_SP3	N	P	C	3:2:	2:2:2:	2:1:	P-3:C-2:	N-2:N-2:N-2:	N-2:O-1:	N(PNN)(CO)	P(NC)3	C(NP)(O)	N(PNN)(CO)	P(NC)3	C(NP)(O)	132.5870	0.907	2	132.5870	0.822	2	132.5870	0.822	2	139.9053	161.085	3	137.9484	88.324	5	137.9484	88.324	5
941	945	983	0:SP2_SP1_SP3	N	P	C	3:2:	2:2:2:	2:1:	P-3:C-2:	O-2:O-2:N-2:	N-2:S-1:	N(POO)(CS)	P(OC[6a])2(NC)	C(NP)(S)	N(POO)(CS)	P(OC[6a])2(NC)	C(NP)(S)	154.5420	0.000	1	154.5420	0.000	1	154.5420	0.000	1	139.9053	161.085	3	137.9484	88.324	5	137.9484	88.324	5
941	945	992	0:SP2_SP3_SP3	N	P	P	3:4:	3:3:2:	3:4:4:2:	P-3:P-4:	C[6a]-3:C[6a]-3:N-2:	P-3:C-4:C-4:N-2:	N(PC[6a]2)(PCCP)	P(C[6a]C[6a]2)2(NP)	P(PC[6a]2)(CCCH)2(NP)	N(PC[6a]2)(PCCP)	P(C[6a]C[6a]2)2(NP)	P(PC[6a]2)(CCCH)2(NP)	125.7830	0.000	1	125.7830	0.000	1	125.7830	0.000	1	125.7830	0.000	1	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	3:2:1:	3:2:1:1:	P-4:P-3:	N-3:N-2:Cl-1:	N-3:N-2:Cl-1:Cl-1:	N(PCl2N)(PClN)	P(NCC)(NP)(Cl)	P(NCC)(NP)(Cl)2	N(PCl2N)(PClN)	P(NCC)(NP)(Cl)	P(NCC)(NP)(Cl)2	138.0360	0.000	1	138.0360	0.000	1	138.0360	0.000	1	138.0360	0.000	1	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	3:3:2:	3:3:3:2:	P-4:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(PC[6a]2)	P(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)3(NP)	N(PC[6a]3)(PC[6a]2)	P(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)3(NP)	134.9250	0.000	1	134.9250	0.000	1	134.9250	0.000	1	131.9660	17.511	2	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	3:3:2:	3:3:3:2:	P-4:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:N-2:	N(PC[6a]2P)(PC[6a]2)	P(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(PC[6a]2)(NP)	N(PC[6a]2P)(PC[6a]2)	P(C[6a]C[6a]2)2(NP)	P(C[6a]C[6a]2)2(PC[6a]2)(NP)	129.0070	0.000	1	129.0070	0.000	1	129.0070	0.000	1	131.9660	17.511	2	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	3:4:2:	4:3:3:2:	P-4:P-3:	C[6a]-3:C[3]-4:N-2:	C[3]-4:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]2C[3])(PC[6a]C[3])	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	N(PC[6a]2C[3])(PC[6a]C[3])	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	4:4:2:	3:3:3:2:	P-4:P-3:	C-4:C-4:N-2:	N-3:N-3:N-3:N-2:	N(PN3)(PCC)	P(CC3)2(NP)	P(NCC)3(NP)	N(PN3)(PCC)	P(CC3)2(NP)	P(NCC)3(NP)	137.3580	0.000	1	137.3580	0.000	1	137.3580	0.000	1	137.3580	0.000	1	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	4:4:2:	4:4:2:1:	P-4:P-3:	C-4:C-4:N-2:	C-4:C-4:N-2:I-1:	N(PCCI)(PCC)	P(CC3)2(NP)	P(CC3)2(NP)(I)	N(PCCI)(PCC)	P(CC3)2(NP)	P(CC3)2(NP)(I)	139.1840	0.000	1	139.1840	0.000	1	139.1840	0.000	1	139.1840	0.000	1	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	4:4:2:	4:4:3:2:	P-4:P-3:	C-4:C-4:N-2:	C-4:C-4:C-3:N-2:	N(PC3)(PCC)	P(CCCH)2(NP)	P(CCCH)2(COO)(NP)	N(PC3)(PCC)	P(CCCH)2(NP)	P(CCCH)2(COO)(NP)	143.9630	0.000	1	143.9630	0.000	1	143.9630	0.000	1	143.9630	0.000	1	138.4514	129.260	10	138.4514	129.260	10
941	945	992	0:SP2_SP3_SP3	N	P	P	4:3:	4:4:2:	4:4:4:2:	P-4:P-3:	C-4:C-4:N-2:	B-4:C-4:C-4:N-2:	N(PBCC)(PCC)	P(CCCH)2(NP)	P(BC[6a]3)(CCCH)2(NP)	N(PBCC)(PCC)	P(CCCH)2(NP)	P(BC[6a]3)(CCCH)2(NP)	156.3980	0.304	2	156.3980	0.092	2	156.3980	0.092	2	156.3980	0.092	2	138.4514	129.260	10	138.4514	129.260	10