930	930	996	0:SP2_SP2_SP3	C	C	Si[4]	4:3:1:	3:3:4:	3:4:3:3:	Si[4]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	132.0060	0.000	1	132.0060	0.000	1	132.0060	0.000	1	132.0060	0.000	1	128.3240	66.613	3	128.3240	66.613	3
930	930	996	0:SP2_SP2_SP3	C	C	Si[4]	4:3:3:	3:2:1:	3:3:3:4:	Si[4]-4:C[6a]-3:C-3:	C-3:Si-2:H-1:	Si[4]-3:C[4]-3:C-3:Si-4:	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C(CC[6a]Si[4])(SiSi)(H)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C(CC[6a]Si[4])(SiSi)(H)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	118.9700	0.000	1	118.9700	0.000	1	118.9700	0.000	1	118.9700	0.000	1	128.3240	66.613	3	128.3240	66.613	3
930	930	996	0:SP2_SP2_SP3	C	C	Si[4]	4:3:3:	3:4:1:	4:3:3:2:	Si[4]-4:Ga-3:C-3:	C-3:C-4:H-1:	N[4,5]-4:C[4]-3:C-3:C-2:	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	C(CSi[4]Ga)(CC3)(H)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	C(CSi[4]Ga)(CC3)(H)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	133.9960	0.000	1	133.9960	0.000	1	133.9960	0.000	1	133.9960	0.000	1	128.3240	66.613	3	128.3240	66.613	3
930	930	999	0:SP2_SP2_SP3	C	C	N[5]	4:3:1:	3:3:1:	4:4:3:1:	N[5]-4:C-3:H-1:	C-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-1:	C(N[5]C[5]2O)(CCH)(H)	C(CN[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C(N[5]C[5]2O)(CCH)(H)	C(CN[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	118.6474	7.368	5	118.6474	7.368	5
930	930	999	0:SP2_SP2_SP3	C	C	N[5]	4:3:3:	3:2:1:	4:4:3:1:	N[5]-4:C-3:C-3:	C-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:O-1:	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	115.9005	0.442	2	115.9005	0.195	2	115.9005	0.195	2	115.9005	0.195	2	118.6474	7.368	5	118.6474	7.368	5
930	930	999	0:SP2_SP2_SP3	C	C	N[5]	4:3:3:	3:3:1:	4:4:3:1:	N[5]-4:C-3:C-3:	C-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-1:	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	119.6495	0.042	2	119.6495	0.002	2	119.6495	0.002	2	119.6495	0.002	2	118.6474	7.368	5	118.6474	7.368	5
930	940	941	0:SP2_SP-NON_SP2	C	P	N	2:2:4:	3:3:	3:3:	N-2:P-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(PC[6a])(CC3)	P(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCP)	C(NC[6a])(PC[6a])(CC3)	P(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCP)	119.2070	0.566	2	119.2070	0.320	2	119.2070	0.320	2	119.2070	0.320	2	121.0416	31.672	5	121.0416	31.672	5
930	940	941	0:SP2_SP-NON_SP2	C	P	N	3:2:2:	3:2:	3:3:	B[5a]-3:N-2:P-2:	C-3:C-2:	C[6a]-3:C-3:	C(B[5a]N[5a]2)(NC[6a])(PC)	P(CB[5a]N)(CN)	N(C[6a]C[6a]2)(CB[5a]P)	C(B[5a]N[5a]2)(NC[6a])(PC)	P(CB[5a]N)(CN)	N(C[6a]C[6a]2)(CB[5a]P)	130.8970	0.000	1	130.8970	0.000	1	123.7735	101.489	2	123.7735	101.489	2	121.0416	31.672	5	121.0416	31.672	5
930	940	941	0:SP2_SP-NON_SP2	C	P	N	3:2:2:	3:2:	3:3:	B[5a]-3:N-2:P-2:	C-3:C-2:	C[6a]-3:C-3:	C(B[5a]N[5a]2)(NC[6a])(PC)	P(CB[5a]N)(CO)	N(C[6a]C[6a]2)(CB[5a]P)	C(B[5a]N[5a]2)(NC[6a])(PC)	P(CB[5a]N)(CO)	N(C[6a]C[6a]2)(CB[5a]P)	116.6500	0.000	1	116.6500	0.000	1	123.7735	101.489	2	123.7735	101.489	2	121.0416	31.672	5	121.0416	31.672	5
930	940	941	0:SP2_SP-NON_SP2	C	P	N	3:2:2:	3:3:	3:4:	N[6]-3:N-2:P-2:	C-3:C-3:	C-3:P-4:	C(N[6]C[6]2)(NP)(PC)	P(CN[6]N)(CSi2)	N(CN[6]P)(PClCW)	C(N[6]C[6]2)(NP)(PC)	P(CN[6]N)(CSi2)	N(CN[6]P)(PClCW)	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	121.0416	31.672	5	121.0416	31.672	5
930	940	945	0:SP2_SP-NON_SP3	C	P	P	3:2:2:	4:3:	4:4:3:	P-3:O-2:P-2:	Ge-4:C-3:	C-4:C-4:C-3:	C(PCC)(OSi)(PGe)	P(GeC[6a]3)(COP)	P(CC3)2(COP)	C(PCC)(OSi)(PGe)	P(GeC[6a]3)(COP)	P(CC3)2(COP)	123.1993	0.536	3	123.1993	0.287	3	123.1993	0.287	3	123.1993	0.287	3	121.4437	12.520	4	121.4437	12.520	4
930	940	945	0:SP2_SP-NON_SP3	C	P	P	3:2:4:	3:3:	3:3:3:	P-3:P-2:Si-4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(PC[6a])(SiC3)	P(C[6a]C[6a]2)(CSiP)	P(C[6a]C[6a]2)2(CSiP)	C(PC[6a]2)(PC[6a])(SiC3)	P(C[6a]C[6a]2)(CSiP)	P(C[6a]C[6a]2)2(CSiP)	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	121.4437	12.520	4	121.4437	12.520	4
930	940	951	0:SP2_SP-NON_SP-NON	C	P	H	2:4:1:	3:3:	3:	P-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(PC[6a])(CCHH)(H)	P(C[6a]C[6a]2)(CCH)	H(CCP)	C(PC[6a])(CCHH)(H)	P(C[6a]C[6a]2)(CCH)	H(CCP)	120.3470	0.000	1	120.3470	0.000	1	120.8683	1.449	3	120.8683	1.449	3	118.3677	8.578	11	118.3677	8.578	11
930	940	951	0:SP2_SP-NON_SP-NON	C	P	H	2:4:1:	3:3:	3:	P-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(PC[6a])(CHHP)(H)	P(C[6a]C[6a]2)(CCH)	H(CCP)	C(PC[6a])(CHHP)(H)	P(C[6a]C[6a]2)(CCH)	H(CCP)	121.1290	1.578	2	121.1290	2.491	2	120.8683	1.449	3	120.8683	1.449	3	118.3677	8.578	11	118.3677	8.578	11
930	940	951	0:SP2_SP-NON_SP-NON	C	P	H	3:2:1:	3:3:	3:	C[6a]-3:P-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]P)	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]P)	115.7080	0.000	1	115.7080	0.000	1	116.9072	7.771	6	116.9072	7.771	6	118.3677	8.578	11	118.3677	8.578	11
930	940	951	0:SP2_SP-NON_SP-NON	C	P	H	3:2:1:	3:3:	3:	C[6a]-3:P-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]P)	117.1470	3.047	5	117.1470	9.282	5	116.9072	7.771	6	116.9072	7.771	6	118.3677	8.578	11	118.3677	8.578	11
930	940	951	0:SP2_SP-NON_SP-NON	C	P	H	4:2:1:	3:3:	3:	C[5]-4:P-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[5]H)	H(CC[5]P)	C(C[5]C[5]2Fe)(PC[6a])(H)	P(C[6a]C[6a]2)(CC[5]H)	H(CC[5]P)	118.9985	3.416	2	118.9985	11.669	2	118.9985	11.669	2	118.9985	11.669	2	118.3677	8.578	11	118.3677	8.578	11
930	940	956	0:SP2_SP-NON_SP2	C	P	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:P-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	P(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	P(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]P)(H)	123.2570	0.185	2	123.2570	0.034	2	123.2570	0.034	2	123.2570	0.034	2	123.2570	0.034	2	123.2570	0.034	2
930	940	983	0:SP2_SP-NON_SP1	C	P	C	2:2:2:	3:3:	2:3:	P-2:C-2:C-2:	C[6a]-3:C-3:	C-2:C-3:	C(PC[6a])(CC)2	P(C[6a]C[6a]2)(CCC)	C(CC[6a])(CCP)	C(PC[6a])(CC)2	P(C[6a]C[6a]2)(CCC)	C(CC[6a])(CCP)	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	121.6357	14.522	3	121.6357	14.522	3
930	940	983	0:SP2_SP-NON_SP1	C	P	C	2:2:2:	3:3:	3:2:	P-2:C-2:C-2:	C[6a]-3:C-3:	C-3:C-2:	C(PC[6a])(CC)2	P(C[6a]C[6a]2)(CCC)	C(CCP)(CSi)	C(PC[6a])(CC)2	P(C[6a]C[6a]2)(CCC)	C(CCP)(CSi)	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	121.6357	14.522	3	121.6357	14.522	3
930	940	983	0:SP2_SP-NON_SP1	C	P	C	3:2:2:	3:3:	3:2:	C[6a]-3:P-2:C-2:	C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(PC[6a])(CC)	P(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]P)(CC)	C(C[6a]C[6a]2)(PC[6a])(CC)	P(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]P)(CC)	123.0210	0.000	1	123.0210	0.000	1	123.0210	0.000	1	123.0210	0.000	1	121.6357	14.522	3	121.6357	14.522	3
930	940	992	0:SP2_SP-NON_SP3	C	P	P	2:4:1:	3:3:	3:3:3:1:	P-2:P-4:Cl-1:	C[6a]-3:C-3:	C-3:N-3:N-3:S-1:	C(PC[6a])(PNNS)(Cl)	P(C[6a]C[6a]2)(CClP)	P(CClP)(NCC)2(S)	C(PC[6a])(PNNS)(Cl)	P(C[6a]C[6a]2)(CClP)	P(CClP)(NCC)2(S)	117.4540	0.284	2	117.4540	0.081	2	117.4540	0.081	2	117.4540	0.081	2	115.9442	10.132	6	115.9442	10.132	6
930	940	992	0:SP2_SP-NON_SP3	C	P	P	4:2:1:	3:3:	3:3:3:1:	P-4:P-2:Cl-1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(PC[6a])(Cl)	P(C[6a]C[6a]2)(CClP)	P(C[6a]C[6a]2)2(CClP)(S)	C(PC[6a]2S)(PC[6a])(Cl)	P(C[6a]C[6a]2)(CClP)	P(C[6a]C[6a]2)2(CClP)(S)	118.3945	0.906	2	118.3945	0.820	2	118.3945	0.820	2	118.3945	0.820	2	115.9442	10.132	6	115.9442	10.132	6
930	940	992	0:SP2_SP-NON_SP3	C	P	P	4:2:4:	3:3:	3:3:3:1:	P-4:P-2:Si-4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(PC[6a])(SiC3)	P(C[6a]C[6a]2)(CSiP)	P(C[6a]C[6a]2)2(CSiP)(S)	C(PC[6a]2S)(PC[6a])(SiC3)	P(C[6a]C[6a]2)(CSiP)	P(C[6a]C[6a]2)2(CSiP)(S)	111.9840	1.351	2	111.9840	1.824	2	111.9840	1.824	2	111.9840	1.824	2	115.9442	10.132	6	115.9442	10.132	6
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:1:	3:1:	N-2:N-2:N-1:	C-3:H-1:	C-3:H-1:	C(NH)2(N)	N(CNN)(H)	N(CNN)(H)	C(NH)2(N)	N(CNN)(H)	N(CNN)(H)	119.0125	0.291	2	119.0125	0.084	2	119.0125	0.084	2	119.0447	0.045	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:1:	3:1:	N-2:N-2:S-1:	C-3:H-1:	C-3:H-1:	C(NH)2(S)	N(CNS)(H)	N(CNS)(H)	C(NH)2(S)	N(CNS)(H)	N(CNS)(H)	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	119.0447	0.045	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:1:	N-2:N-2:O-1:	C[6a]-3:C-3:	C-3:H-1:	C(NC[6a])(NH)(O)	N(C[6a]C[6a]2)(CNO)	N(CNO)(H)	C(NC[6a])(NH)(O)	N(C[6a]C[6a]2)(CNO)	N(CNO)(H)	115.5835	3.593	2	115.5835	12.908	2	115.5835	12.908	2	115.5835	12.908	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:2:	N-2:N-2:O-1:	C-3:N-3:	C-3:N-2:	C(NN)2(O)	N(CNO)(NOO)	N(CNO)(NN)	C(NN)2(O)	N(CNO)(NOO)	N(CNO)(NN)	105.4097	0.420	3	105.4097	0.176	3	105.4097	0.176	3	107.3792	15.635	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:2:	N-2:N-2:S-1:	C[6a]-3:C-3:	C-3:N-2:	C(NC[6a])(NN)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(NC)	C(NC[6a])(NN)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(NC)	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	107.3792	15.635	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])2(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)	C(NC[6a])2(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)	128.9340	0.000	1	128.9340	0.000	1	128.9340	0.000	1	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:O-1:	C-3:C-3:	C-3:C-3:	C(NC)2(O)	N(CC[6a]H)(CNO)	N(CC[6a]H)(CNO)	C(NC)2(O)	N(CC[6a]H)(CNO)	N(CC[6a]H)(CNO)	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:O-1:	C[6]-3:C-3:	C-3:C-3:	C(NC[6])(NC)(O)	N(C[6]C[6]2)(CNO)	N(CC[6]N)(CNO)	C(NC[6])(NC)(O)	N(C[6]C[6]2)(CNO)	N(CC[6]N)(CNO)	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:O-1:	C[6a]-3:C-3:	C[6]-3:C-3:	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)	N(C[6]C[6]2)(CNO)	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)	N(C[6]C[6]2)(CNO)	112.5700	0.000	1	112.5700	0.000	1	113.3315	1.160	2	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:O-1:	C[6a]-3:C-3:	C[6]-3:C-3:	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2)(CNO)	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2)(CNO)	114.0930	0.000	1	114.0930	0.000	1	113.3315	1.160	2	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])2(O)	N(C[6a]C[6,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])2(O)	N(C[6a]C[6,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CNO)	113.7815	2.852	2	113.7815	8.133	2	113.9497	4.151	3	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])2(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])2(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)	114.2860	0.000	1	114.2860	0.000	1	113.9497	4.151	3	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	3:3:	N-2:N-2:S-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])2(S)	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CNS)	C(NC[6a])2(S)	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CNS)	116.6850	0.000	1	116.6850	0.000	1	116.6850	0.000	1	116.2310	25.476	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	4:3:	N-2:N-2:O-1:	C[6a]-3:C-3:	C[6]-4:C-3:	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2H)(CNO)	C(NC[6a])(NC[6])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2H)(CNO)	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	114.9850	1.092	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	3:3:	4:3:	N-2:N-2:S-1:	C[6a]-3:C-3:	P-4:C-3:	C(NC[6a])(NP)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)	N(POOS)(CNS)	C(NC[6a])(NP)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)	N(POOS)(CNS)	115.7240	0.000	1	115.7240	0.000	1	115.7240	0.000	1	114.9850	1.092	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	3:2:	N-2:N-2:S-1:	C-4:C-3:	C-3:N-2:	C(NC)(NN)(S)	N(CH3)(CNS)	N(CNS)(NC)	C(NC)(NN)(S)	N(CH3)(CNS)	N(CNS)(NC)	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	3:3:	N-2:N-2:S-1:	C-4:C-3:	C-3:N-3:	C(NC)(NN)(S)	N(CC[6a]CH)(CNS)	N(CNS)(NCH)	C(NC)(NN)(S)	N(CC[6a]CH)(CNS)	N(CNS)(NCH)	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:Cl-1:	P-4:C-3:	P-4:C-3:	C(NP)2(Cl)	N(PCl2N)(CClN)	N(PCl2N)(CClN)	C(NP)2(Cl)	N(PCl2N)(CClN)	N(PCl2N)(CClN)	127.0930	0.000	1	127.0930	0.000	1	125.9430	1.375	3	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:Cl-1:	P-4:C-3:	P-4:C-3:	C(NP)2(Cl)	N(PCl3)(CClN)	N(PCl3)(CClN)	C(NP)2(Cl)	N(PCl3)(CClN)	N(PCl3)(CClN)	125.3680	0.875	2	125.3680	0.766	2	125.9430	1.375	3	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)2(O)	N(CCCH)(CNO)	N(CCHH)(CNO)	C(NC)2(O)	N(CCCH)(CNO)	N(CCHH)(CNO)	113.7170	0.000	1	113.7170	0.000	1	114.3625	0.833	2	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)2(O)	N(CCHH)(CNO)	N(CH3)(CNO)	C(NC)2(O)	N(CCHH)(CNO)	N(CH3)(CNO)	115.0080	0.000	1	115.0080	0.000	1	114.3625	0.833	2	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:O-1:	S-4:C-3:	C-4:C-3:	C(NC)(NS)(O)	N(SC[6a]OO)(CNO)	N(CCHH)(CNO)	C(NC)(NS)(O)	N(SC[6a]OO)(CNO)	N(CCHH)(CNO)	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:S-1:	C-4:C-3:	C-4:C-3:	C(NC)2(S)	N(CCCH)(CNS)	N(CCCH)(CNS)	C(NC)2(S)	N(CCCH)(CNS)	N(CCCH)(CNS)	118.3560	0.000	1	118.3560	0.000	1	116.9755	3.812	2	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:1:	4:3:	4:3:	N-2:N-2:S-1:	C-4:C-3:	C-4:C-3:	C(NC)2(S)	N(CC[6a]HH)(CNS)	N(CCHH)(CNS)	C(NC)2(S)	N(CC[6a]HH)(CNS)	N(CCHH)(CNS)	115.5950	0.000	1	115.5950	0.000	1	116.9755	3.812	2	119.3792	31.723	8	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:1:	3:1:	N-2:N-2:N-2:	C-3:H-1:	C-3:H-1:	C(NH)2(NN)	N(CNN)(H)	N(CNN)(H)	C(NH)2(NN)	N(CNN)(H)	N(CNN)(H)	121.6290	0.000	1	121.6290	0.000	1	121.6290	0.000	1	119.8715	1.741	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:1:	3:1:	N-2:N-2:S-2:	C-3:H-1:	C-3:H-1:	C(NH)2(SI)	N(CNS)(H)	N(CNS)(H)	C(NH)2(SI)	N(CNS)(H)	N(CNS)(H)	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	119.8715	1.741	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:1:	3:1:	S-2:N-2:N-2:	C-3:H-1:	C-3:H-1:	C(SCu)(NH)2	N(CNS)(H)	N(CNS)(H)	C(SCu)(NH)2	N(CNS)(H)	N(CNS)(H)	118.8640	0.197	2	118.8640	0.039	2	118.8640	0.039	2	119.8715	1.741	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:1:	3:3:	N-2:N-2:N-2:	C-3:H-1:	C-3:C-3:	C(NC[6a])(NC)(NH)	N(CNN)(H)	N(CNN)2	C(NC[6a])(NC)(NH)	N(CNN)(H)	N(CNN)2	111.7970	0.932	2	111.7970	0.869	2	111.7970	0.869	2	111.7970	0.869	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:2:	3:1:	N-2:N-2:N-2:	C-3:N-2:	C-3:H-1:	C(NH)2(NN)	N(CNN)(NC)	N(CNN)(H)	C(NH)2(NN)	N(CNN)(NC)	N(CNN)(H)	119.1840	2.196	2	119.1840	4.824	2	119.1840	4.824	2	119.1840	4.824	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	2:3:	C-2:N-2:N-2:	N-3:C-3:	N-2:C-3:	C(CN)(NN)2	N(NC[6a]H)(CCN)	N(NC[6a])(CCN)	C(CN)(NN)2	N(NC[6a]H)(CCN)	N(NC[6a])(CCN)	127.2545	7.080	2	127.2545	50.130	2	127.2545	50.130	2	116.7562	78.341	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	2:3:	N-2:N-2:S-2:	N-3:C-3:	N-2:C-3:	C(NN)2(SS)	N(NC[6a]H)(CNS)	N(NC[6a])(CNS)	C(NN)2(SS)	N(NC[6a]H)(CNS)	N(NC[6a])(CNS)	112.5035	1.340	2	112.5035	1.796	2	112.5035	1.796	2	116.7562	78.341	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	2:3:	S-2:N-2:N-2:	N-3:C-3:	N-2:C-3:	C(SRu)(NN)2	N(NC[6a]H)(CNS)	N(NC[6a])(CNS)	C(SRu)(NN)2	N(NC[6a]H)(CNS)	N(NC[6a])(CNS)	108.9040	0.000	1	108.9040	0.000	1	110.5105	5.162	2	116.7562	78.341	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	2:3:	S-2:N-2:N-2:	N-3:C-3:	N-2:C-3:	C(SSn)(NN)2	N(NC[6a]H)(CNS)	N(NC[6a])(CNS)	C(SSn)(NN)2	N(NC[6a]H)(CNS)	N(NC[6a])(CNS)	112.1170	0.000	1	112.1170	0.000	1	110.5105	5.162	2	116.7562	78.341	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:1:	N-2:N-2:N-2:	C[6a]-3:C-3:	C-3:H-1:	C(NC[6a])(NC)(NH)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)	C(NC[6a])(NC)(NH)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)	123.6145	0.757	2	123.6145	0.574	2	123.6145	0.574	2	119.4680	11.124	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:1:	S-2:N-2:N-2:	N-3:C-3:	C-3:H-1:	C(SNi)(NH)(NN)	N(NNiC)(CNS)	N(CNS)(H)	C(SNi)(NH)(NN)	N(NNiC)(CNS)	N(CNS)(H)	118.8200	0.000	1	118.8200	0.000	1	117.3948	1.155	4	119.4680	11.124	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:1:	S-2:N-2:N-2:	N-3:C-3:	C-3:H-1:	C(SPd)(NH)(NN)	N(NPdC)(CNS)	N(CNS)(H)	C(SPd)(NH)(NN)	N(NPdC)(CNS)	N(CNS)(H)	117.6080	0.000	1	117.6080	0.000	1	117.3948	1.155	4	119.4680	11.124	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:1:	S-2:N-2:N-2:	N-3:C-3:	C-3:H-1:	C(SZn)(NH)(NN)	N(NZnC)(CNS)	N(CNS)(H)	C(SZn)(NH)(NN)	N(NZnC)(CNS)	N(CNS)(H)	116.5755	0.217	2	116.5755	0.047	2	117.3948	1.155	4	119.4680	11.124	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:N-2:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(NC)(NH)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	C(NC[6a])(NC)(NH)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	124.5405	0.199	2	124.5405	0.039	2	124.5405	0.039	2	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:N-2:O-2:	C-3:C-3:	C-3:C-3:	C(NC)2(OC)	N(CCH)(CNO)	N(CCN)(CNO)	C(NC)2(OC)	N(CCH)(CNO)	N(CCN)(CNO)	131.9670	0.000	1	131.9670	0.000	1	131.9670	0.000	1	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:S-2:N-2:	C[6a]-3:C-3:	N-3:C-3:	C(NC[6a])(SCu)(NN)	N(C[6a]C[6a,6a]C[6a])(CNS)	N(NCuC)(CNS)	C(NC[6a])(SCu)(NN)	N(C[6a]C[6a,6a]C[6a])(CNS)	N(NCuC)(CNS)	120.0170	0.000	1	120.0170	0.000	1	118.6654	4.685	7	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:S-2:N-2:	C[6a]-3:C-3:	N-3:C-3:	C(NC[6a])(SNi)(NN)	N(C[6a]C[6a]2)(CNS)	N(NNiC)(CNS)	C(NC[6a])(SNi)(NN)	N(C[6a]C[6a]2)(CNS)	N(NNiC)(CNS)	120.4760	0.314	2	120.4760	0.099	2	118.6654	4.685	7	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:S-2:N-2:	C[6a]-3:C-3:	N-3:C-3:	C(NC[6a])(SRe)(NN)	N(C[6a]C[6a]2)(CNS)	N(NReC)(CNS)	C(NC[6a])(SRe)(NN)	N(C[6a]C[6a]2)(CNS)	N(NReC)(CNS)	114.3190	0.000	1	114.3190	0.000	1	118.6654	4.685	7	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:S-2:N-2:	C[6a]-3:C-3:	N-3:C-3:	C(NC[6a])(SRu)(NN)	N(C[6a]C[6a]2)(CNS)	N(NRuC)(CNS)	C(NC[6a])(SRu)(NN)	N(C[6a]C[6a]2)(CNS)	N(NRuC)(CNS)	118.7290	0.000	1	118.7290	0.000	1	118.6654	4.685	7	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	N-2:S-2:N-2:	C[6a]-3:C-3:	N-3:C-3:	C(NC[6a])(SSn)(NN)	N(C[6a]C[6a]2)(CNS)	N(NSnC)(CNS)	C(NC[6a])(SSn)(NN)	N(C[6a]C[6a]2)(CNS)	N(NSnC)(CNS)	118.3205	0.705	2	118.3205	0.497	2	118.6654	4.685	7	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	3:3:	S-2:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(SSn)(NN)2	N(NC[6a]Sn)(CNS)	N(NC[6a]H)(CNS)	C(SSn)(NN)2	N(NC[6a]Sn)(CNS)	N(NC[6a]H)(CNS)	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	120.2899	29.668	11	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	N-2:S-2:N-2:	C[6a]-3:C-3:	P-4:C-3:	C(NC[6a])(SCd)(NP)	N(C[6a]C[6a]2)(CNS)	N(POOS)(CNS)	C(NC[6a])(SCd)(NP)	N(C[6a]C[6a]2)(CNS)	N(POOS)(CNS)	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	C-3:C-3:	C-4:C-3:	C(SPt)(NC)2	N(CC[6a]O)(CNS)	N(CCHH)(CNS)	C(SPt)(NC)2	N(CC[6a]O)(CNS)	N(CCHH)(CNS)	113.0240	0.000	1	113.0240	0.000	1	114.8427	7.882	3	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	C-3:C-3:	C-4:C-3:	C(SRe)(NC)2	N(CC[6a]N)(CNS)	N(CCHH)(CNS)	C(SRe)(NC)2	N(CC[6a]N)(CNS)	N(CCHH)(CNS)	118.0760	0.000	1	118.0760	0.000	1	114.8427	7.882	3	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	C-3:C-3:	C-4:C-3:	C(SRe)(NC)2	N(CC[6a]O)(CNS)	N(CCHH)(CNS)	C(SRe)(NC)2	N(CC[6a]O)(CNS)	N(CCHH)(CNS)	113.4280	0.000	1	113.4280	0.000	1	114.8427	7.882	3	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	N-3:C-3:	C-4:C-3:	C(SBi)(NC)(NN)	N(NBiC)(CNS)	N(CH3)(CNS)	C(SBi)(NC)(NN)	N(NBiC)(CNS)	N(CH3)(CNS)	117.3490	0.000	1	117.3490	0.000	1	117.3716	3.112	9	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	N-3:C-3:	C-4:C-3:	C(SCd)(NC)(NN)	N(NCdC)(CNS)	N(CH3)(CNS)	C(SCd)(NC)(NN)	N(NCdC)(CNS)	N(CH3)(CNS)	115.3650	0.000	1	115.3650	0.000	1	117.3716	3.112	9	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	N-3:C-3:	C-4:C-3:	C(SCo)(NC)(NN)	N(NCoC)(CNS)	N(CH3)(CNS)	C(SCo)(NC)(NN)	N(NCoC)(CNS)	N(CH3)(CNS)	117.5460	0.000	1	117.5460	0.000	1	117.3716	3.112	9	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	N-3:C-3:	C-4:C-3:	C(SCu)(NC)(NN)	N(NCuC)(CNS)	N(CH3)(CNS)	C(SCu)(NC)(NN)	N(NCuC)(CNS)	N(CH3)(CNS)	116.3110	2.092	2	116.3110	4.375	2	117.3716	3.112	9	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	N-3:C-3:	C-4:C-3:	C(SNi)(NC)(NN)	N(NNiC)(CNS)	N(CH3)(CNS)	C(SNi)(NC)(NN)	N(NNiC)(CNS)	N(CH3)(CNS)	119.2810	0.321	3	119.2810	0.103	3	117.3716	3.112	9	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	3:3:	4:3:	S-2:N-2:N-2:	N-3:C-3:	C-4:C-3:	C(SZn)(NC)(NN)	N(NZnC)(CNS)	N(CH3)(CNS)	C(SZn)(NC)(NN)	N(NZnC)(CNS)	N(CH3)(CNS)	115.6190	0.000	1	115.6190	0.000	1	117.3716	3.112	9	116.9693	5.275	13	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	3:2:	S-2:N-2:N-2:	C-4:C-3:	C-3:N-2:	C(SCu)(NC)(NN)	N(CH3)(CNS)	N(CNS)(NC)	C(SCu)(NC)(NN)	N(CH3)(CNS)	N(CNS)(NC)	116.7970	0.000	1	116.7970	0.000	1	116.7970	0.000	1	116.7970	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	3:3:	N-2:S-2:N-2:	C[6]-4:C-3:	N-3:C-3:	C(NC[6])(SPd)(NN)	N(C[6]C[6]2H)(CNS)	N(NPdC)(CNS)	C(NC[6])(SPd)(NN)	N(C[6]C[6]2H)(CNS)	N(NPdC)(CNS)	119.1220	0.000	1	119.1220	0.000	1	119.1220	0.000	1	117.2934	3.338	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	3:3:	S-2:N-2:N-2:	C-4:C-3:	N-3:C-3:	C(SCu)(NC)(NN)	N(CCCH)(CNS)	N(NCuC)(CNS)	C(SCu)(NC)(NN)	N(CCCH)(CNS)	N(NCuC)(CNS)	117.7940	0.000	1	117.7940	0.000	1	116.8363	3.057	4	117.2934	3.338	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	3:3:	S-2:N-2:N-2:	C-4:C-3:	N-3:C-3:	C(SCu)(NC)(NN)	N(CCHH)(CNS)	N(NCuC)(CNS)	C(SCu)(NC)(NN)	N(CCHH)(CNS)	N(NCuC)(CNS)	116.5160	0.000	1	116.5160	0.000	1	116.8363	3.057	4	117.2934	3.338	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	3:3:	S-2:N-2:N-2:	C-4:C-3:	N-3:C-3:	C(SNi)(NC)(NN)	N(CCHH)(CNS)	N(NNiC)(CNS)	C(SNi)(NC)(NN)	N(CCHH)(CNS)	N(NNiC)(CNS)	114.5240	0.000	1	114.5240	0.000	1	116.8363	3.057	4	117.2934	3.338	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	3:3:	S-2:N-2:N-2:	C-4:C-3:	N-3:C-3:	C(SPd)(NC)(NN)	N(CCHH)(CNS)	N(NPdC)(CNS)	C(SPd)(NC)(NN)	N(CCHH)(CNS)	N(NPdC)(CNS)	118.5110	0.000	1	118.5110	0.000	1	116.8363	3.057	4	117.2934	3.338	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:2:	4:3:	4:3:	S-2:N-2:N-2:	P-4:C-3:	C-4:C-3:	C(SCu)(NC)(NP)	N(POOS)(CNS)	N(CC3)(CNS)	C(SCu)(NC)(NP)	N(POOS)(CNS)	N(CC3)(CNS)	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	3:3:	N-2:N-2:N-3:	C[3]-3:C-3:	C[3]-3:C-3:	C(NC[3])2(NCH)	N(C[3]C[3]2)(CNN)	N(C[3]C[3]2)(CNN)	C(NC[3])2(NCH)	N(C[3]C[3]2)(CNN)	N(C[3]C[3]2)(CNN)	122.2010	0.000	1	122.2010	0.000	1	122.2010	0.000	1	122.0085	2.357	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	3:3:	N-2:N-2:N-3:	C[5]-3:C-3:	C[5]-3:C-3:	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	N(C[5]N[5]2)(CNN)	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	N(C[5]N[5]2)(CNN)	120.5430	1.153	2	120.5430	1.328	2	120.5430	1.328	2	122.0085	2.357	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	3:3:	N-2:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	122.1590	0.369	2	122.1590	0.136	2	122.9213	1.812	3	122.0085	2.357	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	3:3:	N-2:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])2(NCH)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	C(NC[6a])2(NCH)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	124.4460	0.000	1	124.4460	0.000	1	122.9213	1.812	3	122.0085	2.357	6	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:2:4:	4:3:	3:3:	N-2:N-2:C-4:	C[6]-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(NC[6])(CC3)	N(C[6]C[6]2Rh)(CCN)	N(C[6a]C[6a]2)(CCN)	C(NC[6a])(NC[6])(CC3)	N(C[6]C[6]2Rh)(CCN)	N(C[6a]C[6a]2)(CCN)	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:3:	N-2:C-3:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(CCH)(NC)	N(C[6a]C[6a]2)(CCN)	N(CCC)(CCN)	C(NC[6a])(CCH)(NC)	N(C[6a]C[6a]2)(CCN)	N(CCC)(CCN)	126.2080	0.000	1	126.2080	0.000	1	126.2080	0.000	1	120.7027	44.525	17	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:3:	N-2:C-3:N-2:	N[6]-3:C-3:	C-3:C-3:	C(NN[6])(CCH)(NC)	N(N[6]C[6]2)(CCN)	N(CC[6a]2)(CCN)	C(NN[6])(CCH)(NC)	N(N[6]C[6]2)(CCN)	N(CC[6a]2)(CCN)	123.4970	0.000	1	123.4970	0.000	1	123.4970	0.000	1	120.7027	44.525	17	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:3:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(NCC)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	C(NC[6a])(NCC)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	124.0270	0.000	1	124.0270	0.000	1	122.7602	23.648	12	120.7027	44.525	17	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:3:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	123.7126	3.844	10	123.7126	14.778	10	122.7602	23.648	12	120.7027	44.525	17	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:3:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(NNiH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	C(NC[6a])(NNiH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)2	111.9690	0.000	1	111.9690	0.000	1	122.7602	23.648	12	120.7027	44.525	17	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:3:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:N-3:	C(NC[6a])(NHH)(NN)	N(C[6a]N[6a]2)(CNN)	N(CNN)(NOO)	C(NC[6a])(NHH)(NN)	N(C[6a]N[6a]2)(CNN)	N(CNN)(NOO)	109.7063	0.548	3	109.7063	0.300	3	109.7063	0.300	3	120.7027	44.525	17	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:4:2:	3:3:	3:3:	N-2:C-4:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)	N(CCN)2	C(NC[6a])(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)	N(CCN)2	127.6649	3.642	8	127.6649	13.263	8	127.7832	11.731	9	127.7832	11.731	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:4:2:	3:3:	3:3:	N-2:C-4:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(NC[6a])(CF3)(NC)	N(C[6a]C[6a]2)(CCN)	N(CCN)2	C(NC[6a])(CF3)(NC)	N(C[6a]C[6a]2)(CCN)	N(CCN)2	128.7300	0.000	1	128.7300	0.000	1	127.7832	11.731	9	127.7832	11.731	9	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	2:4:2:	3:3:	4:3:	N-2:C-4:N-2:	C[5a]-3:C-3:	C-4:C-3:	C(NC[5a])(CH3)(NC)	N(C[5a]C[5a]O[5a])(CCN)	N(CC3)(CCN)	C(NC[5a])(CH3)(NC)	N(C[5a]C[5a]O[5a])(CCN)	N(CC3)(CCN)	119.6730	0.000	1	119.6730	0.000	1	119.6730	0.000	1	119.6730	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:	C[6a]-3:N-2:N-2:	C-3:H-1:	C-3:H-1:	C(C[6a]C[4,6a]C[6a])(NH)2	N(CC[6a]N)(H)	N(CC[6a]N)(H)	C(C[6a]C[4,6a]C[6a])(NH)2	N(CC[6a]N)(H)	N(CC[6a]N)(H)	120.7730	0.000	1	120.7730	0.000	1	120.3130	0.179	3	120.3334	0.399	16	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:	C[6a]-3:N-2:N-2:	C-3:H-1:	C-3:H-1:	C(C[6a]C[6a]2)(NH)2	N(CC[6a]N)(H)	N(CC[6a]N)(H)	C(C[6a]C[6a]2)(NH)2	N(CC[6a]N)(H)	N(CC[6a]N)(H)	120.0830	0.201	2	120.0830	0.040	2	120.3130	0.179	3	120.3334	0.399	16	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:	C(NCH)(NH)2	N(CNN)(H)	N(CNN)(H)	C(NCH)(NH)2	N(CNN)(H)	N(CNN)(H)	121.0800	0.669	2	121.0800	0.447	2	120.3381	0.468	13	120.3334	0.399	16	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:	C(NHH)(NH)2	N(CNN)(H)	N(CNN)(H)	C(NHH)(NH)2	N(CNN)(H)	N(CNN)(H)	120.2032	0.622	11	120.2032	0.387	11	120.3381	0.468	13	120.3334	0.399	16	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:3:	N-3:N-2:N-2:	C-3:H-1:	C-3:C-3:	C(NHH)(NC)(NH)	N(CNN)(H)	N(CNN)2	C(NHH)(NC)(NH)	N(CNN)(H)	N(CNN)2	126.0210	0.000	1	126.0210	0.000	1	126.0210	0.000	1	127.3827	1.391	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:3:	N[5a]-3:N-2:N-2:	C-3:H-1:	C-3:C-3:	C(N[5a]C[5a]N[5a])(NC)(NH)	N(CN[5a]N)(H)	N(CN[5a]N)2	C(N[5a]C[5a]N[5a])(NC)(NH)	N(CN[5a]N)(H)	N(CN[5a]N)2	128.0635	0.023	2	128.0635	0.001	2	128.0635	0.001	2	127.3827	1.391	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:	N-3:N-2:N-2:	C-3:C-2:	C-3:H-1:	C(NHH)(NC)(NH)	N(CNN)(CN)	N(CNN)(H)	C(NHH)(NC)(NH)	N(CNN)(CN)	N(CNN)(H)	117.2500	0.000	1	117.2500	0.000	1	117.2500	0.000	1	121.0024	10.149	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:	C(NCH)(NH)(NN)	N(CNN)(NC)	N(CNN)(H)	C(NCH)(NH)(NN)	N(CNN)(NC)	N(CNN)(H)	125.3590	0.000	1	125.3590	0.000	1	121.9405	7.665	4	121.0024	10.149	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:	C(NHH)(NH)(NN)	N(CNN)(NC)	N(CNN)(H)	C(NHH)(NH)(NN)	N(CNN)(NC)	N(CNN)(H)	119.7550	0.000	1	119.7550	0.000	1	121.9405	7.665	4	121.0024	10.149	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:	C(NHH)(NH)(NN)	N(CNN)(NH)	N(CNN)(H)	C(NHH)(NH)(NN)	N(CNN)(NH)	N(CNN)(H)	119.6250	0.000	1	119.6250	0.000	1	121.9405	7.665	4	121.0024	10.149	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:	C(NHH)(NH)(NN)	N(CNN)(NN)	N(CNN)(H)	C(NHH)(NH)(NN)	N(CNN)(NN)	N(CNN)(H)	123.0230	0.000	1	123.0230	0.000	1	121.9405	7.665	4	121.0024	10.149	5	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:2:	C[5a]-3:N-2:N-2:	C-3:S-2:	C-3:S-2:	C(C[5a]C[5a]S[5a])(NS)2	N(CC[5a]N)(SN)	N(CC[5a]N)(SN)	C(C[5a]C[5a]S[5a])(NS)2	N(CC[5a]N)(SN)	N(CC[5a]N)(SN)	130.3630	0.000	1	130.3630	0.000	1	130.3630	0.000	1	124.5636	55.360	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:2:	C[6a]-3:N-2:N-2:	C-3:N-2:	C-3:N-2:	C(C[6a]C[6a]2)(NN)2	N(CC[6a]N)(NC[6a])	N(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(NN)2	N(CC[6a]N)(NC[6a])	N(CC[6a]N)(NC[6a])	117.2745	11.437	2	117.2745	130.815	2	117.2745	130.815	2	124.5636	55.360	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:2:	C[6a]-3:N-2:N-2:	C-3:S-2:	C-3:S-2:	C(C[6a]C[6a]2)(NS)2	N(CC[6a]N)(SN)	N(CC[6a]N)(SN)	C(C[6a]C[6a]2)(NS)2	N(CC[6a]N)(SN)	N(CC[6a]N)(SN)	128.5637	1.239	3	128.5637	1.534	3	128.5637	1.534	3	124.5636	55.360	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:2:	N-3:N-2:N-2:	C-3:N-2:	C-3:N-2:	C(NHN)(NN)2	N(CNN)(NC)	N(CNN)(NC)	C(NHN)(NN)2	N(CNN)(NC)	N(CNN)(NC)	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	124.5636	55.360	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	2:3:	N-3:N-2:N-2:	N-3:C-3:	N-2:C-3:	C(NOO)(NN)2	N(NC[6a]H)(CNN)	N(NC[6a])(CNN)	C(NOO)(NN)2	N(NC[6a]H)(CNN)	N(NC[6a])(CNN)	134.1835	0.080	4	134.1835	0.006	4	134.1835	0.006	4	134.1835	0.006	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:	C(NCuH)(NC)(NH)	N(CN[6]N)(CNN)	N(CNN)(H)	C(NCuH)(NC)(NH)	N(CN[6]N)(CNN)	N(CNN)(H)	113.9420	0.000	1	113.9420	0.000	1	116.8430	16.832	2	116.9343	8.441	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:	C(NHH)(NC)(NH)	N(CC[6a]O)(CNN)	N(CNN)(H)	C(NHH)(NC)(NH)	N(CC[6a]O)(CNN)	N(CNN)(H)	119.7440	0.000	1	119.7440	0.000	1	116.8430	16.832	2	116.9343	8.441	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:	S-3:N-2:N-2:	N-3:C-3:	C-3:H-1:	C(SCd2)(NH)(NN)	N(NCdC)(CNS)	N(CNS)(H)	C(SCd2)(NH)(NN)	N(NCdC)(CNS)	N(CNS)(H)	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	116.9343	8.441	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:	C-3:N-2:N-2:	C-3:N-3:	C-3:N-2:	C(CNN)(NN)2	N(CCN)(NCH)	N(CCN)(NN)	C(CNN)(NN)2	N(CCN)(NCH)	N(CCN)(NN)	119.3420	0.000	1	119.3420	0.000	1	119.3420	0.000	1	122.2637	31.935	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:	C-3:N-2:N-2:	C[6a]-3:C-3:	C-3:O-2:	C(CC[6a]O)(NC[6a])(NO)	N(C[6a]C[6a]2)(CCN)	N(CCN)(OH)	C(CC[6a]O)(NC[6a])(NO)	N(C[6a]C[6a]2)(CCN)	N(CCN)(OH)	126.5490	0.000	1	126.5490	0.000	1	126.5490	0.000	1	122.2637	31.935	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:	C[6a]-3:N-2:N-2:	C-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NC)(NO)	N(CC[6a]N)(CHN)	N(CC[6a]N)(OC)	C(C[6a]C[6a]2)(NC)(NO)	N(CC[6a]N)(CHN)	N(CC[6a]N)(OC)	121.8450	0.000	1	121.8450	0.000	1	121.8450	0.000	1	122.2637	31.935	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:	C[6a]-3:N-2:N-2:	C-3:N-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)2	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(NN)2	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(NC[6a])	128.3940	0.000	1	128.3940	0.000	1	128.3940	0.000	1	122.2637	31.935	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:	C[6a]-3:N-2:N-2:	N-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]In)(CC[6a]N)	N(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(NN)2	N(NC[6a]In)(CC[6a]N)	N(CC[6a]N)(NC[6a])	128.4750	0.000	1	128.4750	0.000	1	128.4750	0.000	1	122.2637	31.935	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:	N-3:N-2:N-2:	C-3:N-3:	C-3:N-2:	C(NHH)(NN)2	N(CNN)(NOO)	N(CNN)(NN)	C(NHH)(NN)2	N(CNN)(NOO)	N(CNN)(NN)	115.6205	0.330	2	115.6205	0.109	2	115.6205	0.109	2	122.2637	31.935	7	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[5]-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5]2)(NC[6a])2	N(C[6a]C[6a]2)(CC[5]N)	N(C[6a]C[6a]2)(CC[5]N)	C(C[5]N[5]2)(NC[6a])2	N(C[6a]C[6a]2)(CC[5]N)	N(C[6a]C[6a]2)(CC[5]N)	128.3195	2.548	2	128.3195	6.491	2	128.3195	6.491	2	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6]-3:N-2:N-2:	C[6]-3:C-3:	C-3:C-3:	C(C[6]C[6]2)(NC[6])(NC)	N(C[6]C[6]2)(CC[6]N)	N(CC[6]N)(CNO)	C(C[6]C[6]2)(NC[6])(NC)	N(C[6]C[6]2)(CC[6]N)	N(CC[6]N)(CNO)	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	C-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)2	N(CC[6a]N)(CC[6a]O)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC)2	N(CC[6a]N)(CC[6a]O)	N(CC[6a]N)(CC[6a]O)	124.2160	0.000	1	124.2160	0.000	1	124.2160	0.000	1	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	C-3:S-3:	C-3:S-3:	C(C[6a]C[6a]2)(NS)2	N(CC[6a]N)(SC[6a]N)	N(CC[6a]N)(SC[6a]N)	C(C[6a]C[6a]2)(NS)2	N(CC[6a]N)(SC[6a]N)	N(CC[6a]N)(SC[6a]N)	121.7362	0.696	4	121.7362	0.485	4	121.7362	0.485	4	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)2	124.9620	1.804	4	124.9620	3.254	4	124.7744	2.617	5	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)2	C(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)2	124.0240	0.000	1	124.0240	0.000	1	124.7744	2.617	5	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NC[6a])(NN)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(NC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(NN)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(NC[6a]N)	126.0165	0.120	2	126.0165	0.014	2	126.0165	0.014	2	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Co)(CC[6a]N)	N(NC[6a]Co)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Co)(CC[6a]N)	N(NC[6a]Co)(CC[6a]N)	132.2320	0.000	1	132.2320	0.000	1	129.3877	4.164	16	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Fe)(CC[6a]N)	N(NC[6a]Fe)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Fe)(CC[6a]N)	N(NC[6a]Fe)(CC[6a]N)	129.7916	2.557	5	129.7916	6.537	5	129.3877	4.164	16	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Pd)(CC[6a]N)	N(NC[6a]Pd)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Pd)(CC[6a]N)	N(NC[6a]Pd)(CC[6a]N)	126.8770	2.769	2	126.8770	7.668	2	129.3877	4.164	16	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Rh)(CC[6a]N)	N(NC[6a]Rh)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Rh)(CC[6a]N)	N(NC[6a]Rh)(CC[6a]N)	128.9355	0.411	2	128.9355	0.169	2	129.3877	4.164	16	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Ru)(CC[6a]N)	N(NC[6a]Ru)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Ru)(CC[6a]N)	N(NC[6a]Ru)(CC[6a]N)	130.3520	1.117	3	130.3520	1.247	3	129.3877	4.164	16	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Zn)(CC[6a]N)	N(NC[6a]Zn)(CC[6a]N)	C(C[6a]C[6a]2)(NN)2	N(NC[6a]Zn)(CC[6a]N)	N(NC[6a]Zn)(CC[6a]N)	128.7773	0.280	3	128.7773	0.078	3	129.3877	4.164	16	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:	C(NCH)(NC)2	N(CC[6a]O)(CNN)	N(CNN)2	C(NCH)(NC)2	N(CC[6a]O)(CNN)	N(CNN)2	125.5640	0.000	1	125.5640	0.000	1	121.7070	51.677	3	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:	C(NCH)(NC)2	N(CC[6a]O)(CNN)	N(CN[6]N)(CNN)	C(NCH)(NC)2	N(CC[6a]O)(CNN)	N(CN[6]N)(CNN)	126.1440	0.000	1	126.1440	0.000	1	121.7070	51.677	3	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:	C(NHH)(NC)2	N(CNN)(CSS)	N(CNN)2	C(NHH)(NC)2	N(CNN)(CSS)	N(CNN)2	113.4130	0.000	1	113.4130	0.000	1	121.7070	51.677	3	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	C(NC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	112.7615	0.100	2	112.7615	0.010	2	111.3013	6.401	3	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a]H)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	C(NC[6a]H)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)	108.3810	0.000	1	108.3810	0.000	1	111.3013	6.401	3	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N-3:N-2:N-2:	N[6]-3:C-3:	C-3:C-3:	C(NC[6a]H)(NN[6])(NC)	N(N[6]C[6]2)(CNN)	N(CC[6a]O)(CNN)	C(NC[6a]H)(NN[6])(NC)	N(N[6]C[6]2)(CNN)	N(CC[6a]O)(CNN)	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N[5]-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5,6a]C[5])(NC[6a])2	N(C[6a]C[6a]2)(CN[5]N)	N(C[6a]C[6a]2)(CN[5]N)	C(N[5]C[5,6a]C[5])(NC[6a])2	N(C[6a]C[6a]2)(CN[5]N)	N(C[6a]C[6a]2)(CN[5]N)	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	N[6]-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CN[6]N)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CN[6]N)	N(C[6a]C[6a]2)(CN[6]N)	123.2240	0.041	2	123.2240	0.002	2	123.2240	0.002	2	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	P-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(PC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)	C(PC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)	123.5790	0.000	1	123.5790	0.000	1	123.5790	0.000	1	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:	S-3:N-2:N-2:	N-3:C-3:	N-3:C-3:	C(SNi2)(NN)2	N(NNiC)(CNS)	N(NNiC)(CNS)	C(SNi2)(NN)2	N(NNiC)(CNS)	N(NNiC)(CNS)	113.0444	1.929	7	113.0444	3.719	7	113.0444	3.719	7	123.2767	43.393	49	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:4:	C[6a]-3:N-2:N-2:	C[6a]-3:C-3:	C-3:S-4:	C(C[6a]C[6a]2)(NC[6a])(NS)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(SCCO)	C(C[6a]C[6a]2)(NC[6a])(NS)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(SCCO)	122.4400	0.000	1	122.4400	0.000	1	122.4400	0.000	1	122.4400	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:4:	3:1:	C[5a]-3:N-2:N-2:	C-3:N-4:	C-3:H-1:	C(C[5a]C[5a]N[5a])(NH)(NN)	N(CC[5a]N)(NH3)	N(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NH)(NN)	N(CC[5a]N)(NH3)	N(CC[5a]N)(H)	129.5560	0.000	1	129.5560	0.000	1	129.5560	0.000	1	129.5560	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:4:	3:4:	C[6a]-3:N-2:N-2:	C-3:P-4:	C-3:P-4:	C(C[6a]C[6a]2)(NP)2	N(CC[6a]N)(PCl2N)	N(CC[6a]N)(PClNN)	C(C[6a]C[6a]2)(NP)2	N(CC[6a]N)(PCl2N)	N(CC[6a]N)(PClNN)	128.6185	1.974	2	128.6185	3.895	2	128.6185	3.895	2	128.6185	3.895	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:	C[5a]-3:N-2:N-2:	S-4:C-3:	C-3:H-1:	C(C[5a]C[5a]N[5a])(NH)(NS)	N(SC[6a]OO)(CC[5a]N)	N(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NH)(NS)	N(SC[6a]OO)(CC[5a]N)	N(CC[5a]N)(H)	127.4640	0.000	1	127.4640	0.000	1	127.4640	0.000	1	123.7020	28.305	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:	N-3:N-2:N-2:	C-4:C-3:	C-3:H-1:	C(NHH)(NC)(NH)	N(CC[6a]HH)(CNN)	N(CNN)(H)	C(NHH)(NC)(NH)	N(CC[6a]HH)(CNN)	N(CNN)(H)	119.9400	0.000	1	119.9400	0.000	1	119.9400	0.000	1	123.7020	28.305	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:2:	N-3:N-2:N-2:	S-4:C-3:	C-3:N-2:	C(NHH)(NN)(NS)	N(SC[6a]OO)(CNN)	N(CNN)(NN)	C(NHH)(NN)(NS)	N(SC[6a]OO)(CNN)	N(CNN)(NN)	118.0945	0.086	2	118.0945	0.007	2	118.0945	0.007	2	118.0945	0.007	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:	C[6a]-3:N-2:N-2:	S-4:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(NS)	N(SC[6a]OO)(CC[6a]N)	N(CC[6a]N)(CHN)	C(C[6a]C[6a]2)(NC)(NS)	N(SC[6a]OO)(CC[6a]N)	N(CC[6a]N)(CHN)	124.2180	0.000	1	124.2180	0.000	1	124.2180	0.000	1	123.1193	14.699	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:	N-3:N-2:N-2:	C-4:C-3:	C-3:C-3:	C(NCH)(NC)2	N(CH3)(CNN)	N(CNN)(COO)	C(NCH)(NC)2	N(CH3)(CNN)	N(CNN)(COO)	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	123.1193	14.699	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:	N-3:N-2:N-2:	C-4:C-3:	C-3:N-3:	C(NHH)(NC)(NN)	N(CCHH)(CNN)	N(CNN)(NOO)	C(NHH)(NC)(NN)	N(CCHH)(CNN)	N(CNN)(NOO)	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	123.1193	14.699	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:4:	C[6a]-3:N-2:N-2:	P-4:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(NP)	N(PC[6a]2Cl)(CC[6a]N)	N(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NC)(NP)	N(PC[6a]2Cl)(CC[6a]N)	N(CC[6a]N)(CC3)	126.6820	0.000	1	126.6820	0.000	1	126.6820	0.000	1	126.6820	0.000	1	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:	C[6a]-3:N-2:N-2:	S-4:C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NS)2	N(SC[6a]NO)(CC[6a]N)	N(SC[6a]NO)(CC[6a]N)	C(C[6a]C[6a]2)(NS)2	N(SC[6a]NO)(CC[6a]N)	N(SC[6a]NO)(CC[6a]N)	120.9447	1.119	4	120.9447	1.252	4	120.9447	1.252	4	120.9447	1.252	4	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	4:2:2:	3:1:	3:2:	C-4:N-2:N-2:	C-3:Cl-1:	C-3:N-2:	C(CClNN)(NCl)(NN)	N(CCN)(Cl)	N(CCN)(NC)	C(CClNN)(NCl)(NN)	N(CCN)(Cl)	N(CCN)(NC)	123.2255	0.480	2	123.2255	0.231	2	123.2255	0.231	2	123.2255	0.231	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	4:2:2:	3:3:	3:1:	C-4:N-2:N-2:	C-3:C-3:	C-3:H-1:	C(CCl3)(NC)(NH)	N(CC[6a]N)(CCN)	N(CCN)(H)	C(CCl3)(NC)(NH)	N(CC[6a]N)(CCN)	N(CCN)(H)	127.2316	0.330	8	127.2316	0.109	8	127.5557	0.556	10	127.5557	0.556	10	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	4:2:2:	3:3:	3:1:	C-4:N-2:N-2:	C-3:C-3:	C-3:H-1:	C(CF3)(NC)(NH)	N(CC[6a]N)(CCN)	N(CCN)(H)	C(CF3)(NC)(NH)	N(CC[6a]N)(CCN)	N(CCN)(H)	128.8520	0.202	2	128.8520	0.041	2	127.5557	0.556	10	127.5557	0.556	10	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	4:2:2:	3:3:	3:3:	C[3]-4:N-2:N-2:	C[6a]-3:C-3:	C-3:C-3:	C(C[3]C[3]2H)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[3]N)	N(CC[6a]N)(CC[3]N)	C(C[3]C[3]2H)(NC[6a])(NC)	N(C[6a]C[6a]2)(CC[3]N)	N(CC[6a]N)(CC[3]N)	124.7480	0.027	2	124.7480	0.001	2	124.7480	0.001	2	124.7480	0.001	2	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	4:2:2:	4:3:	4:3:	C-4:N-2:N-2:	S-4:C-3:	S-4:C-3:	C(CC[6a]HH)(NS)2	N(SC[6a]CO)(CCN)	N(SC[6a]OO)(CCN)	C(CC[6a]HH)(NS)2	N(SC[6a]CO)(CCN)	N(SC[6a]OO)(CCN)	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	119.7623	0.472	3	121.3134	37.486	242	121.3134	37.486	242
930	941	941	0:SP2_SP2_SP2	C	N	N	4:2:2:	4:3:	4:3:	P-4:N-2:N-2:	C-4:C-3:	C-4:C-3:	C(PC[6a]2Pt)(NC)2	N(CCCH)(CNP)	N(CCCH)(CNP)	C(PC[6a]2Pt)(NC)2	N(CCCH)(CNP)	N(CCCH)(CNP)	119.5975	0.883	2	119.5975	0.780	2	119.5975	0.780	2	119.7623	0.472	3	121.3134	37.486	242	121.3134	37.486	242
930	941	945	0:SP2_SP2_SP3	C	N	P	2:3:1:	4:3:	3:1:1:	N-2:P-3:O-1:	C[5]-4:C-3:	C-3:H-1:H-1:	C(NC[5])(PHH)(O)	N(C[5]C[5]2Fe)(COP)	P(CNO)(H)2	C(NC[5])(PHH)(O)	N(C[5]C[5]2Fe)(COP)	P(CNO)(H)2	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:2:1:	4:3:	3:3:3:	P-3:N-2:O-1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NC)(O)	N(CCHH)(COP)	P(C[6a]C[6a]2)2(CNO)	C(PC[6a]2)(NC)(O)	N(CCHH)(COP)	P(C[6a]C[6a]2)2(CNO)	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:2:2:	3:3:	4:4:3:	P-3:N-2:N-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(PC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(CNN)	C(PC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(CNN)	118.1705	0.818	2	118.1705	0.669	2	118.1705	0.669	2	118.1705	0.669	2	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:2:4:	3:3:	3:3:3:	P-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(PC[6a]C)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCP)	P(C[6a]C[6a]2)(CCN)2	C(PC[6a]C)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCP)	P(C[6a]C[6a]2)(CCN)2	122.4270	11.148	2	122.4270	124.283	2	122.4270	124.283	2	122.4270	124.283	2	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	3:3:	3:3:3:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(CNN)	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(CNN)	117.9290	0.000	1	117.9290	0.000	1	118.9590	2.122	2	120.2220	5.846	3	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	3:3:	3:3:3:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]H)(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(CNN)	C(NC[6a]H)(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(CNN)	119.9890	0.000	1	119.9890	0.000	1	118.9590	2.122	2	120.2220	5.846	3	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	3:3:	3:3:3:	P-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(CNN)	C(PC[6a]2)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6a]C[6a]2)2(CNN)	122.7480	0.000	1	122.7480	0.000	1	122.7480	0.000	1	120.2220	5.846	3	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	3:3:	4:4:3:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6a]H)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(CNN)	C(NC[6a]H)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(CNN)	121.7710	0.000	1	121.7710	0.000	1	119.9010	6.994	2	119.9010	6.994	2	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	3:3:	4:4:3:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6a]In)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(CNN)	C(NC[6a]In)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	P(C[6]C[6]2H)2(CNN)	118.0310	0.000	1	118.0310	0.000	1	119.9010	6.994	2	119.9010	6.994	2	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	4:3:	3:3:3:	P-3:N-3:N-2:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NB[5]C)(NC)	N(CCCH)(CNP)	P(C[6a]C[6a]2)2(CNN)	C(PC[6a]2)(NB[5]C)(NC)	N(CCCH)(CNP)	P(C[6a]C[6a]2)2(CNN)	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	4:3:	3:4:3:	P-3:N-3:N-2:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(PC[6a]C)(NCH)(NC)	N(CCCH)(CNP)	P(C[6a]C[6a]2)(CCHH)(CNN)	C(PC[6a]C)(NCH)(NC)	N(CCCH)(CNP)	P(C[6a]C[6a]2)(CCHH)(CNN)	124.7780	0.966	2	124.7780	0.933	2	124.7780	0.933	2	124.7780	0.933	2	120.5411	18.963	15	120.5411	18.963	15
930	941	945	0:SP2_SP2_SP3	C	N	P	3:3:2:	4:3:	4:4:3:	P-3:N-3:N-2:	C-4:C-3:	C[6]-4:C[6]-4:C-3:	C(PC[6]2)(NCH)(NC)	N(CCCH)(CNP)	P(C[6]C[6]2H)2(CNN)	C(PC[6]2)(NCH)(NC)	N(CCCH)(CNP)	P(C[6]C[6]2H)2(CNN)	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	120.5411	18.963	15	120.5411	18.963	15
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:2:	3:	N-2:H-1:H-1:	C-3:N-2:	C-3:	C(NN)(H)2	N(CHH)(NP)	H(CHN)	C(NN)(H)2	N(CHH)(NP)	H(CHN)	121.1405	2.102	2	121.1405	4.419	2	121.1405	4.419	2	121.1405	4.419	2	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:C-3:	C-3:	C(NC)(H)2	N(CHH)2	H(CHN)	C(NC)(H)2	N(CHH)2	H(CHN)	112.9755	0.226	2	112.9755	0.051	2	112.9755	0.051	2	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	C-3:	C(NN)(H)2	N(CHH)(NCP)	H(CHN)	C(NN)(H)2	N(CHH)(NCP)	H(CHN)	119.9905	0.062	2	119.9905	0.004	2	120.5348	16.923	4	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C-3:N-3:	C-3:	C(NN)(H)2	N(CHH)(NHP)	H(CHN)	C(NN)(H)2	N(CHH)(NHP)	H(CHN)	121.0790	7.041	2	121.0790	49.581	2	120.5348	16.923	4	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(H)2	N(C[6a]C[6a]2)(CHH)	H(CHN)	C(NC[6a])(H)2	N(C[6a]C[6a]2)(CHH)	H(CHN)	122.7655	1.893	2	122.7655	3.583	2	122.7655	3.583	2	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	N-3:C-3:	C-3:	C(NN)(H)2	N(NC[6a]H)(CHH)	H(CHN)	C(NN)(H)2	N(NC[6a]H)(CHH)	H(CHN)	119.0890	3.458	2	119.0890	11.956	2	119.0890	11.956	2	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:H-1:	N[5,5]-3:C-3:	C-3:	C(NN[5,5])(H)2	N(N[5,5]C[5,5,6]2)(CHH)	H(CHN)	C(NN[5,5])(H)2	N(N[5,5]C[5,5,6]2)(CHH)	H(CHN)	119.9895	0.050	2	119.9895	0.003	2	119.9895	0.003	2	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	3:3:	3:	N-2:H-1:O-1:	C-3:N-3:	C-3:	C(NN)(H)(O)	N(CHO)(NCH)	H(CNO)	C(NN)(H)(O)	N(CHO)(NCH)	H(CNO)	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	118.6343	20.813	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	4:3:	3:	N-2:H-1:H-1:	Ge-4:C-3:	C-3:	C(NGe)(H)2	N(GeC[6a]SS)(CHH)	H(CHN)	C(NGe)(H)2	N(GeC[6a]SS)(CHH)	H(CHN)	123.4280	2.147	2	123.4280	4.609	2	123.4280	4.609	2	117.7917	51.840	19	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	4:3:	3:	N-2:H-1:O-1:	C-4:C-3:	C-3:	C(NC)(H)(O)	N(CCHH)(CHO)	H(CNO)	C(NC)(H)(O)	N(CCHH)(CHO)	H(CNO)	115.2195	2.494	2	115.2195	6.220	2	117.1286	53.594	17	117.7917	51.840	19	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	4:3:	3:	N-2:H-1:O-1:	C-4:C-3:	C-3:	C(NC)(H)(O)	N(CCHO)(CHO)	H(CNO)	C(NC)(H)(O)	N(CCHO)(CHO)	H(CNO)	113.7910	0.000	1	113.7910	0.000	1	117.1286	53.594	17	117.7917	51.840	19	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:1:1:	4:3:	3:	N-2:H-1:O-1:	C-4:C-3:	C-3:	C(NC)(H)(O)	N(CH3)(CHO)	H(CNO)	C(NC)(H)(O)	N(CH3)(CHO)	H(CNO)	117.6398	7.987	14	117.6398	63.785	14	117.1286	53.594	17	117.7917	51.840	19	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	3:3:	3:	N-2:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])2(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a])2(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	115.5330	0.030	2	115.5330	0.001	2	115.5330	0.001	2	117.1024	1.441	11	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	3:3:	3:	N-2:O-2:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(OC)(H)	N(C[5a]C[5a]N[5a])(CHO)	H(CNO)	C(NC[5a])(OC)(H)	N(C[5a]C[5a]N[5a])(CHO)	H(CNO)	117.9545	0.155	2	117.9545	0.024	2	117.9545	0.024	2	117.1024	1.441	11	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	3:3:	3:	N-2:O-2:H-1:	C[6]-3:C-3:	C-3:	C(NC[6])(OC)(H)	N(C[6]C[6]O[6])(CHO)	H(CNO)	C(NC[6])(OC)(H)	N(C[6]C[6]O[6])(CHO)	H(CNO)	118.2495	0.005	2	118.2495	0.000	2	118.2495	0.000	2	117.1024	1.441	11	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	3:3:	3:	N-2:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(OC)(H)	N(C[6a]C[6a]2)(CHO)	H(CNO)	C(NC[6a])(OC)(H)	N(C[6a]C[6a]2)(CHO)	H(CNO)	118.5530	0.000	1	118.5530	0.000	1	118.5530	0.000	1	117.1024	1.441	11	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	3:3:	3:	O-2:N-2:H-1:	C-3:N-3:	C-3:	C(OSi[6])(NN)(H)	N(CHO)(NCC)	H(CNO)	C(OSi[6])(NN)(H)	N(CHO)(NCC)	H(CNO)	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	117.1024	1.441	11	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	3:3:	3:	O-2:N-2:H-1:	N-3:C-3:	C-3:	C(OSn)(NN)(H)	N(NSnC)(CHO)	H(CNO)	C(OSn)(NN)(H)	N(NSnC)(CHO)	H(CNO)	116.1550	0.384	3	116.1550	0.148	3	116.1550	0.148	3	117.1024	1.441	11	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:2:1:	4:3:	3:	O-2:N-2:H-1:	C-4:C-3:	C-3:	C(ONb[6])(NC)(H)	N(CC3)(CHO)	H(CNO)	C(ONb[6])(NC)(H)	N(CC3)(CHO)	H(CNO)	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(CCH)(H)	N(C[5a]C[5a]2)(CCH)	H(CCN)	C(NC[5a])(CCH)(H)	N(C[5a]C[5a]2)(CCH)	H(CCN)	119.6050	0.000	1	119.6050	0.000	1	119.3537	0.577	3	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(CCH)(H)	N(C[5a]C[5a]N[5a])(CCH)	H(CCN)	C(NC[5a])(CCH)(H)	N(C[5a]C[5a]N[5a])(CCH)	H(CCN)	118.5000	0.000	1	118.5000	0.000	1	119.3537	0.577	3	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(CCO)(H)	N(C[5a]C[5a]O[5a])(CCH)	H(CCN)	C(NC[5a])(CCO)(H)	N(C[5a]C[5a]O[5a])(CCH)	H(CCN)	119.9560	0.000	1	119.9560	0.000	1	119.3537	0.577	3	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:C-3:	C-3:	C(NC[6])(CCC)(H)	N(C[6]C[6]N[6])(CCH)	H(CCN)	C(NC[6])(CCC)(H)	N(C[6]C[6]N[6])(CCH)	H(CCN)	125.0580	0.000	1	125.0580	0.000	1	121.5320	20.769	3	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:C-3:	C-3:	C(NC[6])(CCN)(H)	N(C[6]C[6]2)(CCH)	H(CCN)	C(NC[6])(CCN)(H)	N(C[6]C[6]2)(CCH)	H(CCN)	116.3860	0.000	1	116.3860	0.000	1	121.5320	20.769	3	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6]-3:C-3:	C-3:	C(NC[6])(CHN)(H)	N(C[6]C[6]2)(CCH)	H(CCN)	C(NC[6])(CHN)(H)	N(C[6]C[6]2)(CCH)	H(CCN)	123.1520	0.000	1	123.1520	0.000	1	121.5320	20.769	3	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CBrC)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CBrC)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	117.0170	0.000	1	117.0170	0.000	1	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CCC)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CCC)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	119.9619	2.641	9	119.9619	6.975	9	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CCH)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	H(CCN)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	H(CCN)	120.1775	0.800	4	120.1775	0.639	4	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CCH)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	119.5268	1.165	21	119.5268	1.358	21	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CCN)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CCN)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	119.9005	0.622	2	119.9005	0.386	2	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CCoN)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CCoN)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	120.4860	0.000	1	120.4860	0.000	1	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	121.1942	2.170	17	121.1942	4.709	17	120.1461	3.661	55	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	N[5]-3:C-3:	C-3:	C(NN[5])(CCH)(H)	N(N[5]C[5]2)(CCH)	H(CCN)	C(NN[5])(CCH)(H)	N(N[5]C[5]2)(CCH)	H(CCN)	120.6938	0.855	10	120.6938	0.731	10	120.7652	0.661	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	N[5]-3:C-3:	C-3:	C(NN[5])(CHN)(H)	N(N[5]C[5,6a]C[5])(CCH)	H(CCN)	C(NN[5])(CHN)(H)	N(N[5]C[5,6a]C[5])(CCH)	H(CCN)	120.5725	0.136	2	120.5725	0.019	2	120.7652	0.661	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	N[5]-3:C-3:	C-3:	C(NN[5])(CHO)(H)	N(N[5]C[5,6]C[5])(CCH)	H(CCN)	C(NN[5])(CHO)(H)	N(N[5]C[5,6]C[5])(CCH)	H(CCN)	121.8640	0.000	1	121.8640	0.000	1	120.7652	0.661	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	N[5a]-3:C-3:	C-3:	C(NN[5a])(CHN)(H)	N(N[5a]C[5a]N[5a])(CCH)	H(CCN)	C(NN[5a])(CHN)(H)	N(N[5a]C[5a]N[5a])(CCH)	H(CCN)	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:C-3:H-1:	N[6]-3:C-3:	C-3:	C(NN[6])(CCC)(H)	N(N[6]C[6]2)(CCH)	H(CCN)	C(NN[6])(CCC)(H)	N(N[6]C[6]2)(CCH)	H(CCN)	119.2160	0.246	2	119.2160	0.061	2	119.2160	0.061	2	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	H(CNN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	H(CNN)	118.6797	0.569	3	118.6797	0.323	3	118.2507	3.021	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]O[5a])(CHN)	H(CNN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]O[5a])(CHN)	H(CNN)	119.1970	0.000	1	119.1970	0.000	1	118.2507	3.021	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]S[5a])(CHN)	H(CNN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]S[5a])(CHN)	H(CNN)	118.5490	0.529	4	118.5490	0.280	4	118.2507	3.021	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]2)(CHN)	H(CNN)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]2)(CHN)	H(CNN)	118.6860	0.000	1	118.6860	0.000	1	118.2507	3.021	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]S[5a])(CHN)	H(CNN)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]S[5a])(CHN)	H(CNN)	119.9635	0.524	2	119.9635	0.275	2	118.2507	3.021	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-3:	C(NC[5a])(NCH)(H)	N(C[5a]C[5a]N[5a])(CHN)	H(CNN)	C(NC[5a])(NCH)(H)	N(C[5a]C[5a]N[5a])(CHN)	H(CNN)	114.6070	0.277	2	114.6070	0.077	2	118.2507	3.021	13	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[6]-3:C-3:	C-3:	C(NC[6])(NCC)(H)	N(C[6]C[6]N[6])(CHN)	H(CNN)	C(NC[6])(NCC)(H)	N(C[6]C[6]N[6])(CHN)	H(CNN)	118.9700	0.381	3	118.9700	0.145	3	118.9924	0.098	5	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[6]-3:C-3:	C-3:	C(NC[6])(NCC)(H)	N(C[6]C[6]O[6])(CHN)	H(CNN)	C(NC[6])(NCC)(H)	N(C[6]C[6]O[6])(CHN)	H(CNN)	119.0260	0.317	2	119.0260	0.100	2	118.9924	0.098	5	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	118.4156	0.196	7	118.4156	0.038	7	118.9189	2.452	14	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]N[6a])(CHN)	H(CNN)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]N[6a])(CHN)	H(CNN)	118.3960	0.120	2	118.3960	0.014	2	118.9189	2.452	14	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	H(CNN)	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	H(CNN)	119.8326	2.507	5	119.8326	6.286	5	118.9189	2.452	14	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	3:3:	3:	N-2:N-3:H-1:	N[5]-3:C-3:	C-3:	C(NN[5])(NFeN)(H)	N(N[5]C[5]2)(CHN)	H(CNN)	C(NN[5])(NFeN)(H)	N(N[5]C[5]2)(CHN)	H(CNN)	116.5215	1.294	4	116.5215	1.676	4	116.5215	1.676	4	119.6906	3.990	113	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	4:3:	3:	N-2:C-3:H-1:	C[6]-4:C-3:	C-3:	C(NC[6])(CCC)(H)	N(C[6]C[6]2H)(CCH)	H(CCN)	C(NC[6])(CCC)(H)	N(C[6]C[6]2H)(CCH)	H(CCN)	118.9550	0.000	1	118.9550	0.000	1	118.7066	0.259	5	118.4323	0.659	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	4:3:	3:	N-2:C-3:H-1:	C[6]-4:C-3:	C-3:	C(NC[6])(CCH)(H)	N(C[6]C[6]2H)(CCH)	H(CCN)	C(NC[6])(CCH)(H)	N(C[6]C[6]2H)(CCH)	H(CCN)	118.6445	0.566	4	118.6445	0.320	4	118.7066	0.259	5	118.4323	0.659	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	4:3:	3:	N-2:C-3:H-1:	Si[5]-4:C-3:	C-3:	C(NSi[5])(CHN)(H)	N(Si[5]C[5]2C)(CCH)	H(CCN)	C(NSi[5])(CHN)(H)	N(Si[5]C[5]2C)(CCH)	H(CCN)	117.0610	0.000	1	117.0610	0.000	1	117.0610	0.000	1	118.4323	0.659	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:3:1:	5:3:	3:	N-2:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:C-3:	C-3:	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]H)	H(CC[6a]N)	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]H)	H(CC[6a]N)	120.7375	2.384	4	120.7375	5.682	4	120.7375	5.682	4	120.7375	5.682	4	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:4:1:	3:3:	3:	N-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a])(CC3)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(NC[6a])(CC3)(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	118.8640	0.382	2	118.8640	0.146	2	118.8640	0.146	2	120.1258	4.898	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:4:1:	3:3:	3:	N-2:C-4:H-1:	N[5]-3:C-3:	C-3:	C(NN[5])(CCCH)(H)	N(N[5]C[5]2)(CCH)	H(CCN)	C(NN[5])(CCCH)(H)	N(N[5]C[5]2)(CCH)	H(CCN)	123.5870	0.000	1	123.5870	0.000	1	123.5870	0.000	1	120.1258	4.898	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:4:1:	3:3:	3:	N-2:C-4:H-1:	N[6]-3:C-3:	C-3:	C(NN[6])(CHHS)(H)	N(N[6]C[6]2)(CCH)	H(CCN)	C(NN[6])(CHHS)(H)	N(N[6]C[6]2)(CCH)	H(CCN)	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	120.1258	4.898	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:4:1:	3:3:	3:	N-2:Si-4:H-1:	N[4]-3:C-3:	C-3:	C(NN[4])(SiC3)(H)	N(N[4]Si[4,4]2)(CSiH)	H(CSiN)	C(NN[4])(SiC3)(H)	N(N[4]Si[4,4]2)(CSiH)	H(CSiN)	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	120.1258	4.898	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:4:1:	4:3:	3:	N-2:C-4:H-1:	C[5]-4:C-3:	C-3:	C(NC[5])(CCCH)(H)	N(C[5]C[5,6a]C[5]H)(CCH)	H(CCN)	C(NC[5])(CCCH)(H)	N(C[5]C[5,6a]C[5]H)(CCH)	H(CCN)	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	2:4:1:	6:3:	3:	N-2:C-4:H-1:	B[3x3,3x5,12x6]-6:C-3:	C-3:	C(NB[3x3,3x5,12x6])(CH3)(H)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2W)(CCH)	H(CCN)	C(NB[3x3,3x5,12x6])(CH3)(H)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2W)(CCH)	H(CCN)	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	2:3:	3:	C-3:N-2:H-1:	N-2:C-3:	C-3:	C(CCH)(NN)(H)	N(NC[6])(CCH)	H(CCN)	C(CCH)(NN)(H)	N(NC[6])(CCH)	H(CCN)	119.7477	1.377	3	119.7477	1.895	3	119.5524	1.605	5	119.3257	1.592	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	2:3:	3:	C-3:N-2:H-1:	N-2:C-3:	C-3:	C(CCH)(NN)(H)	N(NC[6a])(CCH)	H(CCN)	C(CCH)(NN)(H)	N(NC[6a])(CCH)	H(CCN)	120.3420	0.000	1	120.3420	0.000	1	119.5524	1.605	5	119.3257	1.592	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	2:3:	3:	C-3:N-2:H-1:	N-2:C-3:	C-3:	C(CCN)(NN)(H)	N(NC[6a])(CCH)	H(CCN)	C(CCN)(NN)(H)	N(NC[6a])(CCH)	H(CCN)	118.1770	0.000	1	118.1770	0.000	1	119.5524	1.605	5	119.3257	1.592	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	2:3:	3:	C-3:N-2:H-1:	Se-2:C-3:	C-3:	C(CHN)(NSe)(H)	N(SeC[5])(CCH)	H(CCN)	C(CHN)(NSe)(H)	N(SeC[5])(CCH)	H(CCN)	118.1920	0.000	1	118.1920	0.000	1	118.1920	0.000	1	119.3257	1.592	6	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	C-3:N-1:	C-3:	C(CCO)(NN)(H)	N(CCH)(N)	H(CCN)	C(CCO)(NN)(H)	N(CCH)(N)	H(CCN)	121.6255	0.095	2	121.6255	0.009	2	120.4213	8.325	10	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	C-3:N-1:	C-3:	C(CC[3]O)(NN)(H)	N(CCH)(N)	H(CCN)	C(CC[3]O)(NN)(H)	N(CCH)(N)	H(CCN)	121.7230	0.000	1	121.7230	0.000	1	120.4213	8.325	10	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	C-3:N-1:	C-3:	C(CC[3x6]O)(NN)(H)	N(CCH)(N)	H(CCN)	C(CC[3x6]O)(NN)(H)	N(CCH)(N)	H(CCN)	122.2510	0.061	2	122.2510	0.004	2	120.4213	8.325	10	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	C-3:N-1:	C-3:	C(CC[5]O)(NN)(H)	N(CCH)(N)	H(CCN)	C(CC[5]O)(NN)(H)	N(CCH)(N)	H(CCN)	117.7080	0.000	1	117.7080	0.000	1	120.4213	8.325	10	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	C-3:N-1:	C-3:	C(CC[6a]O)(NN)(H)	N(CCH)(N)	H(CCN)	C(CC[6a]O)(NN)(H)	N(CCH)(N)	H(CCN)	122.8180	0.351	2	122.8180	0.123	2	120.4213	8.325	10	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C-3:N-2:H-1:	C-3:N-1:	C-3:	C(CN[6]O)(NN)(H)	N(CCH)(N)	H(CCN)	C(CN[6]O)(NN)(H)	N(CCH)(N)	H(CCN)	115.6965	0.026	2	115.6965	0.001	2	120.4213	8.325	10	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C[5a]-3:N-2:H-1:	C-3:N-1:	C-3:	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(N)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(N)	H(CC[5a]N)	116.6895	0.807	2	116.6895	0.651	2	116.6895	0.651	2	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:1:	3:	C[6a]-3:N-2:H-1:	C-3:N-1:	C-3:	C(C[6a]C[6a]O[6a])(NN)(H)	N(CC[6a]H)(N)	H(CC[6a]N)	C(C[6a]C[6a]O[6a])(NN)(H)	N(CC[6a]H)(N)	H(CC[6a]N)	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	119.8659	8.290	13	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:C-2:	C-3:	C(CHN)(NC)(H)	N(CCH)(CC)	H(CCN)	C(CHN)(NC)(H)	N(CCH)(CC)	H(CCN)	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:N-2:	C-3:	C(CCC)(NN)(H)	N(CCH)(NN)	H(CCN)	C(CCC)(NN)(H)	N(CCH)(NN)	H(CCN)	119.8835	0.057	2	119.8835	0.003	2	119.8380	1.636	11	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:N-2:	C-3:	C(CCH)(NN)(H)	N(CCH)(NC)	H(CCN)	C(CCH)(NN)(H)	N(CCH)(NC)	H(CCN)	119.4643	0.115	3	119.4643	0.013	3	119.8380	1.636	11	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:N-2:	C-3:	C(CCH)(NN)(H)	N(CCH)(NN)	H(CCN)	C(CCH)(NN)(H)	N(CCH)(NN)	H(CCN)	117.0090	0.000	1	117.0090	0.000	1	119.8380	1.636	11	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:N-2:	C-3:	C(COO)(NN)(H)	N(CCH)(NC)	H(CCN)	C(COO)(NN)(H)	N(CCH)(NC)	H(CCN)	119.2310	0.000	1	119.2310	0.000	1	119.8380	1.636	11	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:N-2:	C-3:	C(COO)(NN)(H)	N(CCH)(NP)	H(CCN)	C(COO)(NN)(H)	N(CCH)(NP)	H(CCN)	120.9545	0.922	4	120.9545	0.851	4	119.8380	1.636	11	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CCH)(NO)(H)	N(CCH)(OC)	H(CCN)	C(CCH)(NO)(H)	N(CCH)(OC)	H(CCN)	114.3840	0.000	1	114.3840	0.000	1	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CCH)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CCH)(NO)(H)	N(CCH)(OH)	H(CCN)	116.6170	0.293	2	116.6170	0.086	2	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CC[5]O)(NO)(H)	N(CCH)(OC)	H(CCN)	C(CC[5]O)(NO)(H)	N(CCH)(OC)	H(CCN)	121.8480	0.000	1	121.8480	0.000	1	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CC[5a]O)(NO)(H)	N(CCH)(OC)	H(CCN)	C(CC[5a]O)(NO)(H)	N(CCH)(OC)	H(CCN)	121.5440	0.000	1	121.5440	0.000	1	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CC[6a]N)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CC[6a]N)(NO)(H)	N(CCH)(OH)	H(CCN)	119.9349	1.322	7	119.9349	1.748	7	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CC[6a]O)(NO)(H)	N(CCH)(OC)	H(CCN)	C(CC[6a]O)(NO)(H)	N(CCH)(OC)	H(CCN)	121.7480	0.000	1	121.7480	0.000	1	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CC[6a]O)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CC[6a]O)(NO)(H)	N(CCH)(OH)	H(CCN)	119.7620	0.000	1	119.7620	0.000	1	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CNN)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CNN)(NO)(H)	N(CCH)(OH)	H(CCN)	120.3718	1.571	5	120.3718	2.469	5	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CNO)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CNO)(NO)(H)	N(CCH)(OH)	H(CCN)	121.1537	0.938	3	121.1537	0.879	3	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CN[5a]N)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CN[5a]N)(NO)(H)	N(CCH)(OH)	H(CCN)	124.2290	0.000	1	124.2290	0.000	1	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:O-2:	C-3:	C(CN[6]N)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CN[6]N)(NO)(H)	N(CCH)(OH)	H(CCN)	121.8855	0.658	2	121.8855	0.433	2	120.2154	4.772	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C-3:N-2:H-1:	C-3:Se-2:	C-3:	C(CHN)(NSe)(H)	N(CCH)(SeP)	H(CCN)	C(CHN)(NSe)(H)	N(CCH)(SeP)	H(CCN)	117.5775	1.180	2	117.5775	1.393	2	117.5775	1.393	2	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5]C[5]N[5])(NN)(H)	N(CC[5]H)(NC[6a])	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	N(CC[5]H)(NC[6a])	H(CC[5]N)	120.0165	0.716	2	120.0165	0.513	2	120.1659	0.121	7	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NC)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NC)	H(CC[5]N)	120.2256	0.195	5	120.2256	0.038	5	120.1659	0.121	7	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	119.0337	0.775	10	119.0337	0.601	10	118.8803	3.177	39	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	118.0867	1.948	15	118.0867	3.793	15	118.8803	3.177	39	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	118.4840	0.000	1	118.4840	0.000	1	118.8803	3.177	39	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	119.2560	0.475	10	119.2560	0.225	10	118.8803	3.177	39	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[5])	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[5])	H(CC[5a]N)	118.4500	0.000	1	118.4500	0.000	1	118.8803	3.177	39	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NC)	H(CC[5a]N)	122.5990	4.593	2	122.5990	21.099	2	118.8803	3.177	39	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a,6]O[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	C(C[5a]C[5a,6]O[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	120.8710	0.000	1	120.8710	0.000	1	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	116.3246	1.988	8	116.3246	3.951	8	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	119.1856	0.445	7	119.1856	0.198	7	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC[6a])	H(CC[5a]N)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OC[6a])	H(CC[5a]N)	118.6415	0.104	2	118.6415	0.011	2	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	C(C[5a]C[5a]2)(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	119.3774	0.540	5	119.3774	0.292	5	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]O[5a])(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	121.6370	0.000	1	121.6370	0.000	1	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]O[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	116.8650	1.208	3	116.8650	1.459	3	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]S[5a])(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	118.6490	3.489	2	118.6490	12.172	2	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]C[5a]S[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NO)(H)	N(CC[5a]H)(OH)	H(CC[5a]N)	115.4970	0.000	1	115.4970	0.000	1	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[5a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[5a]N[5a]2)(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	C(C[5a]N[5a]2)(NO)(H)	N(CC[5a]H)(OC)	H(CC[5a]N)	119.1610	1.253	3	119.1610	1.570	3	118.2560	3.912	33	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6]C[6]2)(NN)(H)	N(CC[6]H)(NC)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	N(CC[6]H)(NC)	H(CC[6]N)	119.7788	0.600	10	119.7788	0.360	10	119.7788	0.360	10	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6]C[6,6a]C[6])(NO)(H)	N(CC[6]H)(OH)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NO)(H)	N(CC[6]H)(OH)	H(CC[6]N)	120.6342	0.396	10	120.6342	0.156	10	119.9656	2.381	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6]C[6]2)(NO)(H)	N(CC[6]H)(OH)	H(CC[6]N)	C(C[6]C[6]2)(NO)(H)	N(CC[6]H)(OH)	H(CC[6]N)	119.5198	1.857	15	119.5198	3.449	15	119.9656	2.381	25	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	117.0402	1.615	6	117.0402	2.609	6	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NC[6])	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NC[6])	H(CC[6a]N)	118.0700	0.000	1	118.0700	0.000	1	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	118.8296	0.961	9	118.8296	0.923	9	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[5])	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[5])	H(CC[6a]N)	118.6160	0.000	1	118.6160	0.000	1	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6])	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6])	H(CC[6a]N)	119.3790	0.000	1	119.3790	0.000	1	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	119.3084	1.231	188	119.3084	1.515	188	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5])	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5])	H(CC[6a]N)	119.1555	0.659	11	119.1555	0.435	11	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6])	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6])	H(CC[6a]N)	119.0864	0.569	33	119.0864	0.324	33	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a])	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a])	H(CC[6a]N)	120.4545	0.156	2	120.4545	0.024	2	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NMo)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NMo)	H(CC[6a]N)	120.3620	2.653	2	120.3620	7.039	2	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:N-2:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC)	H(CC[6a]N)	119.4655	0.504	23	119.4655	0.254	23	119.2334	1.347	277	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[5a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OC)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OC)	H(CC[6a]N)	120.3470	0.209	2	120.3470	0.044	2	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a,6a]2)(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	119.2560	0.000	1	119.2560	0.000	1	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OC)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OC)	H(CC[6a]N)	118.2730	2.070	2	118.2730	4.287	2	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	119.0874	1.345	12	119.0874	1.808	12	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC)	H(CC[6a]N)	119.5924	0.881	63	119.5924	0.777	63	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[5])	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[5])	H(CC[6a]N)	118.8140	0.000	1	118.8140	0.000	1	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6])	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6])	H(CC[6a]N)	117.3380	0.415	3	117.3380	0.172	3	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6a])	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OC[6a])	H(CC[6a]N)	119.0198	0.629	4	119.0198	0.395	4	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	119.5988	0.833	150	119.5988	0.695	150	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OSb)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	N(CC[6a]H)(OSb)	H(CC[6a]N)	119.5060	0.000	1	119.5060	0.000	1	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	C[6a]-3:N-2:H-1:	C-3:O-2:	C-3:	C(C[6a]C[6a]N[6a])(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NO)(H)	N(CC[6a]H)(OH)	H(CC[6a]N)	120.6203	0.344	3	120.6203	0.118	3	119.5370	0.851	242	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	N-3:N-2:H-1:	C-3:N-2:	C-3:	C(NCC)(NN)(H)	N(CHN)(NC)	H(CNN)	C(NCC)(NN)(H)	N(CHN)(NC)	H(CNN)	118.6680	0.233	3	118.6680	0.054	3	118.3708	0.390	4	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	N-3:N-2:H-1:	C-3:N-2:	C-3:	C(NC[5a]H)(NN)(H)	N(CHN)(NC)	H(CNN)	C(NC[5a]H)(NN)(H)	N(CHN)(NC)	H(CNN)	117.4790	0.000	1	117.4790	0.000	1	118.3708	0.390	4	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:2:	3:	N-3:N-2:H-1:	C-3:O-2:	C-3:	C(NCH)(NO)(H)	N(CHN)(OC)	H(CNN)	C(NCH)(NO)(H)	N(CHN)(OC)	H(CNN)	117.7851	1.688	13	117.7851	2.849	13	117.7851	2.849	13	119.3256	1.731	689	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	B[5]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(B[5]O[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CB[5]H)	H(CB[5]N)	C(B[5]O[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CB[5]H)	H(CB[5]N)	120.4240	0.000	1	120.4240	0.000	1	120.4240	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CBr2)(NC)(H)	N(CC[6a]C)(CCH)	H(CCN)	C(CBr2)(NC)(H)	N(CC[6a]C)(CCH)	H(CCN)	120.0350	0.000	1	120.0350	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCC)(NC)(H)	N(CCC)(CCH)	H(CCN)	C(CCC)(NC)(H)	N(CCC)(CCH)	H(CCN)	109.0060	0.000	1	109.0060	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCC)(NC)(H)	N(CCH)(CCN)	H(CCN)	C(CCC)(NC)(H)	N(CCH)(CCN)	H(CCN)	116.1400	0.000	1	116.1400	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCC)(NC)(H)	N(CCH)(CNO)	H(CCN)	C(CCC)(NC)(H)	N(CCH)(CNO)	H(CCN)	115.0310	0.000	1	115.0310	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCH)(NC)(H)	N(CCC)(CCH)	H(CCN)	C(CCH)(NC)(H)	N(CCC)(CCH)	H(CCN)	121.9023	2.098	3	121.9023	4.403	3	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCH)(NC)(H)	N(CCH)(CCN)	H(CCN)	C(CCH)(NC)(H)	N(CCH)(CCN)	H(CCN)	115.8610	0.000	1	115.8610	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCH)(NC)(H)	N(CCH)(CNO)	H(CCN)	C(CCH)(NC)(H)	N(CCH)(CNO)	H(CCN)	116.8050	0.000	1	116.8050	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CCO)(NC)(H)	N(CC[6a]C)(CCH)	H(CCN)	C(CCO)(NC)(H)	N(CC[6a]C)(CCH)	H(CCN)	115.9730	0.000	1	115.9730	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CC[5a]H)(NC)(H)	N(CCH)(CCO)	H(CCN)	C(CC[5a]H)(NC)(H)	N(CCH)(CCO)	H(CCN)	117.7220	0.571	2	117.7220	0.326	2	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CC[6]H)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	C(CC[6]H)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	119.3170	0.000	1	119.3170	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CC[6a]H)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	C(CC[6a]H)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	118.4620	0.313	2	118.4620	0.098	2	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CN[5a]F)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	C(CN[5a]F)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	119.8650	0.000	1	119.8650	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:C-3:	C-3:	C(CSS)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	C(CSS)(NC)(H)	N(CC[6a]2)(CCH)	H(CCN)	121.1990	0.000	1	121.1990	0.000	1	118.0769	11.141	17	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CCC)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CCC)(NN)(H)	N(CCH)(NCH)	H(CCN)	119.3287	1.186	7	119.3287	1.406	7	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CCH)(NN)(H)	N(CCH)(NCC)	H(CCN)	C(CCH)(NN)(H)	N(CCH)(NCC)	H(CCN)	122.1610	0.000	1	122.1610	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CCH)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CCH)(NN)(H)	N(CCH)(NCH)	H(CCN)	120.3459	1.750	17	120.3459	3.061	17	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CCH)(NN)(H)	N(CCH)(NHS)	H(CCN)	C(CCH)(NN)(H)	N(CCH)(NHS)	H(CCN)	120.5580	0.007	2	120.5580	0.000	2	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CCO)(NN)(H)	N(CCH)(NCC)	H(CCN)	C(CCO)(NN)(H)	N(CCH)(NCC)	H(CCN)	120.1050	0.000	1	120.1050	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CC[6a]C)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CC[6a]C)(NN)(H)	N(CCH)(NCH)	H(CCN)	118.8230	0.000	1	118.8230	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CC[6a]C)(NN)(H)	N(CCH)(NCS)	H(CCN)	C(CC[6a]C)(NN)(H)	N(CCH)(NCS)	H(CCN)	120.3140	0.000	1	120.3140	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CC[6a]N)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CC[6a]N)(NN)(H)	N(CCH)(NCH)	H(CCN)	119.4310	0.000	1	119.4310	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CHN)(NN)(H)	N(CCH)(NCC)	H(CCN)	C(CHN)(NN)(H)	N(CCH)(NCC)	H(CCN)	120.9980	0.000	1	120.9980	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CHN)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CHN)(NN)(H)	N(CCH)(NCH)	H(CCN)	120.7330	0.088	2	120.7330	0.008	2	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(CHN)(NN)(H)	N(CCH)(NHS)	H(CCN)	C(CHN)(NN)(H)	N(CCH)(NHS)	H(CCN)	119.2420	0.000	1	119.2420	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(COO)(NN)(H)	N(CCH)(NBP)	H(CCN)	C(COO)(NN)(H)	N(CCH)(NBP)	H(CCN)	120.2400	0.000	1	120.2400	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(COO)(NN)(H)	N(CCH)(NCC)	H(CCN)	C(COO)(NN)(H)	N(CCH)(NCC)	H(CCN)	121.1460	0.000	1	121.1460	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:N-3:	C-3:	C(COO)(NN)(H)	N(CCH)(NHP)	H(CCN)	C(COO)(NN)(H)	N(CCH)(NHP)	H(CCN)	120.5570	0.000	1	120.5570	0.000	1	120.1784	1.969	38	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C-3:S-3:	C-3:	C(CC[6a]S)(NS)(H)	N(CCH)(SCO)	H(CCN)	C(CC[6a]S)(NS)(H)	N(CCH)(SCO)	H(CCN)	116.8040	0.000	1	116.8040	0.000	1	116.8040	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6]-3:C-3:	C-3:	C(CC[6]N)(NC[6])(H)	N(C[6]C[6,6a]C[6])(CCH)	H(CCN)	C(CC[6]N)(NC[6])(H)	N(C[6]C[6,6a]C[6])(CCH)	H(CCN)	120.8225	0.301	2	120.8225	0.090	2	120.8225	0.090	2	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[5]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(CC[5]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	117.4935	0.349	4	117.4935	0.122	4	117.5971	0.083	7	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[6a]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(CC[6a]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	117.7353	0.133	3	117.7353	0.018	3	117.5971	0.083	7	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCC)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCC)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	120.1770	0.000	1	120.1770	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCH)(NN)(H)	N(NC[6]H)(CCH)	H(CCN)	C(CCH)(NN)(H)	N(NC[6]H)(CCH)	H(CCN)	120.9110	1.052	2	120.9110	1.107	2	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	119.9920	0.907	4	119.9920	0.822	4	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCH)(NN)(H)	N(NFeC)(CCH)	H(CCN)	C(CCH)(NN)(H)	N(NFeC)(CCH)	H(CCN)	120.3940	0.000	1	120.3940	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCI)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCI)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	119.0290	0.000	1	119.0290	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCN)(NN)(H)	N(NC[6a]C)(CCH)	H(CCN)	C(CCN)(NN)(H)	N(NC[6a]C)(CCH)	H(CCN)	120.3340	0.000	1	120.3340	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCN)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCN)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	120.3170	0.000	1	120.3170	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCO)(NN)(H)	N(NCoC)(CCH)	H(CCN)	C(CCO)(NN)(H)	N(NCoC)(CCH)	H(CCN)	114.8697	0.180	4	114.8697	0.032	4	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CCO)(NN)(H)	N(NNiC)(CCH)	H(CCN)	C(CCO)(NN)(H)	N(NNiC)(CCH)	H(CCN)	115.6335	0.152	2	115.6335	0.023	2	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CHN)(NN)(H)	N(NC[6]Pd)(CCH)	H(CCN)	C(CHN)(NN)(H)	N(NC[6]Pd)(CCH)	H(CCN)	115.0570	0.000	1	115.0570	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CHN)(NN)(H)	N(NC[6a]2)(CCH)	H(CCN)	C(CHN)(NN)(H)	N(NC[6a]2)(CCH)	H(CCN)	120.5250	0.000	1	120.5250	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CHN)(NN)(H)	N(NCoC)(CCH)	H(CCN)	C(CHN)(NN)(H)	N(NCoC)(CCH)	H(CCN)	114.4955	0.394	2	114.4955	0.155	2	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CHN)(NN)(H)	N(NNiC)(CCH)	H(CCN)	C(CHN)(NN)(H)	N(NNiC)(CCH)	H(CCN)	115.3820	0.757	2	115.3820	0.572	2	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(CHO)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CHO)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	122.3055	0.392	2	122.3055	0.154	2	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(COO)(NN)(H)	N(NCoC)(CCH)	H(CCN)	C(COO)(NN)(H)	N(NCoC)(CCH)	H(CCN)	121.1860	0.000	1	121.1860	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(COO)(NN)(H)	N(NFeP)(CCH)	H(CCN)	C(COO)(NN)(H)	N(NFeP)(CCH)	H(CCN)	120.5230	0.000	1	120.5230	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N-3:C-3:	C-3:	C(COO)(NN)(H)	N(NRu2)(CCH)	H(CCN)	C(COO)(NN)(H)	N(NRu2)(CCH)	H(CCN)	120.0610	0.000	1	120.0610	0.000	1	118.3752	8.050	28	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(CC[6a]N)(NN[5a])(H)	N(N[5a]C[5a]N[5a])(CCH)	H(CCN)	C(CC[6a]N)(NN[5a])(H)	N(N[5a]C[5a]N[5a])(CCH)	H(CCN)	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5,6]C[5])(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	C(C[5]C[5,6]C[5])(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	118.9510	0.000	1	118.9510	0.000	1	120.3605	0.900	12	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	120.0688	0.545	5	120.0688	0.297	5	120.3605	0.900	12	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	N(CC[5]H)(NC[5]H)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	N(CC[5]H)(NC[5]H)	H(CC[5]N)	120.3370	0.588	3	120.3370	0.346	3	120.3605	0.900	12	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	121.1040	1.547	2	121.1040	2.394	2	120.3605	0.900	12	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NC[6]C)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	N(CC[5]H)(NC[6]C)	H(CC[5]N)	121.8120	0.000	1	121.8120	0.000	1	120.3605	0.900	12	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C[6]-3:C-3:	C-3:	C(C[5]C[5]S[5])(NC[6])(H)	N(C[6]C[6]N[6])(CC[5]H)	H(CC[5]N)	C(C[5]C[5]S[5])(NC[6])(H)	N(C[6]C[6]N[6])(CC[5]H)	H(CC[5]N)	120.2593	0.115	3	120.2593	0.013	3	120.2593	0.013	3	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	116.6860	0.000	1	116.6860	0.000	1	119.3327	5.939	3	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[5]H)	H(CC[5]N)	C(C[5]C[5]S[5])(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[5]H)	H(CC[5]N)	121.4840	0.000	1	121.4840	0.000	1	119.3327	5.939	3	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	119.8280	0.000	1	119.8280	0.000	1	119.3327	5.939	3	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(NN)(H)	N(NC[6a]H)(CC[5]H)	H(CC[5]N)	C(C[5]C[5,5]C[5])(NN)(H)	N(NC[6a]H)(CC[5]H)	H(CC[5]N)	121.6870	0.000	1	121.6870	0.000	1	121.1635	0.194	6	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[5]C[5]2)(NN)(H)	N(NC[6a]H)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2)(NN)(H)	N(NC[6a]H)(CC[5]H)	H(CC[5]N)	121.1770	0.000	1	121.1770	0.000	1	121.1635	0.194	6	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	N(NC[5a]C)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	N(NC[5a]C)(CC[5]H)	H(CC[5]N)	121.4200	0.000	1	121.4200	0.000	1	121.1635	0.194	6	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	N(NC[5a]H)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	N(NC[5a]H)(CC[5]H)	H(CC[5]N)	121.0845	0.465	2	121.0845	0.216	2	121.1635	0.194	6	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[5]C[5]P[5])(NN)(H)	N(NC[6a]C)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]P[5])(NN)(H)	N(NC[6a]C)(CC[5]H)	H(CC[5]N)	120.5280	0.000	1	120.5280	0.000	1	121.1635	0.194	6	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]S[5])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5]H)	H(CC[5]N)	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NC)(H)	N(CC[5a]H)(CCC)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NC)(H)	N(CC[5a]H)(CCC)	H(CC[5a]N)	118.4920	0.000	1	118.4920	0.000	1	118.6880	0.077	2	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NC)(H)	N(CC[5a]H)(CCC)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC)(H)	N(CC[5a]H)(CCC)	H(CC[5a]N)	118.8840	0.000	1	118.8840	0.000	1	118.6880	0.077	2	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NCC)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NCC)	H(CC[5a]N)	113.1730	0.000	1	113.1730	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	119.0907	0.647	31	119.0907	0.418	31	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	118.8240	0.000	1	118.8240	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NHS)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NHS)	H(CC[5a]N)	119.6827	0.241	4	119.6827	0.058	4	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]2)(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	C(C[5a]C[5a]2)(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	118.5384	2.490	8	118.5384	6.201	8	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]2)(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	C(C[5a]C[5a]2)(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	120.0198	0.436	5	120.0198	0.190	5	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	119.5736	1.383	15	119.5736	1.912	15	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC[6a]C)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC[6a]C)	H(CC[5a]N)	120.2717	0.472	4	120.2717	0.223	4	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	120.3290	0.696	2	120.3290	0.484	2	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NCC)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NCC)	H(CC[5a]N)	121.6510	0.000	1	121.6510	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	119.9737	1.424	48	119.9737	2.029	48	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC[6a]2)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC[6a]2)	H(CC[5a]N)	119.5820	0.000	1	119.5820	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	120.4250	0.000	1	120.4250	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NCC)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NCC)	H(CC[5a]N)	120.1050	0.000	1	120.1050	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	120.6567	2.457	18	120.6567	6.039	18	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]2)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]2)	H(CC[5a]N)	119.8570	0.031	2	119.8570	0.001	2	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]C)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]C)	H(CC[5a]N)	119.8130	0.000	1	119.8130	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]H)	H(CC[5a]N)	119.9487	0.584	9	119.9487	0.341	9	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NHS)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN)(H)	N(CC[5a]H)(NHS)	H(CC[5a]N)	119.7450	0.000	1	119.7450	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC[5]H)	H(CC[5a]N)	C(C[5a]N[5a,6a]C[5a])(NN)(H)	N(CC[5a]H)(NC[5]H)	H(CC[5a]N)	117.7680	0.000	1	117.7680	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NCH)	H(CC[5a]N)	123.8780	0.000	1	123.8780	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NC[5a]C)	H(CC[5a]N)	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NC[5a]C)	H(CC[5a]N)	120.9642	0.706	6	120.9642	0.498	6	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NSnC)	H(CC[5a]N)	C(C[5a]N[5a]2)(NN)(H)	N(CC[5a]H)(NSnC)	H(CC[5a]N)	115.2210	0.000	1	115.2210	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[5a]N[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]2)	H(CC[5a]N)	C(C[5a]N[5a]S[5a])(NN)(H)	N(CC[5a]H)(NC[6a]2)	H(CC[5a]N)	121.2250	0.000	1	121.2250	0.000	1	119.7640	2.664	164	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a,6]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	120.4200	0.000	1	120.4200	0.000	1	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	119.5620	0.000	1	119.5620	0.000	1	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	118.0385	0.520	2	118.0385	0.270	2	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	120.5810	1.512	2	120.5810	2.286	2	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	119.4570	0.403	2	119.4570	0.162	2	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	118.1805	1.082	6	118.1805	1.171	6	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	H(CC[5a]N)	121.6350	0.000	1	121.6350	0.000	1	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	119.7515	1.397	2	119.7515	1.950	2	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	H(CC[5a]N)	118.1715	0.098	2	118.1715	0.010	2	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	118.3622	0.564	5	118.3622	0.318	5	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	118.7420	0.205	4	118.7420	0.042	4	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	H(CC[5a]N)	118.7510	0.000	1	118.7510	0.000	1	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	118.7757	0.449	7	118.7757	0.202	7	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a,6a]C[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a,6a]C[5a])(CC[5a]H)	H(CC[5a]N)	119.2690	0.187	2	119.2690	0.035	2	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	H(CC[5a]N)	120.1590	0.000	1	120.1590	0.000	1	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[5a]H)	H(CC[5a]N)	120.0990	1.743	4	120.0990	3.038	4	119.0407	1.293	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	118.2160	0.000	1	118.2160	0.000	1	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	118.1710	0.296	2	118.1710	0.087	2	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	118.9505	0.230	2	118.9505	0.053	2	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	118.2537	0.952	6	118.2537	0.906	6	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	118.7696	1.680	72	118.7696	2.822	72	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	120.7358	4.486	11	120.7358	20.121	11	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]H)	H(CC[5a]N)	118.6205	0.177	4	118.6205	0.031	4	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	119.5440	1.514	31	119.5440	2.292	31	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]N[5a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	119.9003	2.082	9	119.9003	4.337	9	119.1372	4.135	138	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	119.4730	0.000	1	119.4730	0.000	1	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	120.4340	0.000	1	120.4340	0.000	1	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	118.0400	0.000	1	118.0400	0.000	1	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	H(CC[5a]N)	120.5970	0.000	1	120.5970	0.000	1	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	121.0751	2.265	32	121.0751	5.129	32	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5a]H)	H(CC[5a]N)	121.5105	2.081	2	121.5105	4.331	2	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN[5])(H)	N(N[5]C[5]2)(CC[5a]H)	H(CC[5a]N)	120.1950	0.237	3	120.1950	0.056	3	120.8915	4.430	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	113.6600	0.000	1	113.6600	0.000	1	120.4415	47.469	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[5a]H)	H(CC[5a]N)	119.0270	0.233	2	119.0270	0.054	2	120.4415	47.469	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NN[5a])(H)	N(N[5a]C[5a]N[5a])(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NN[5a])(H)	N(N[5a]C[5a]N[5a])(CC[5a]H)	H(CC[5a]N)	130.0520	0.000	1	130.0520	0.000	1	120.4415	47.469	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NN[6])(H)	N(N[6]C[6]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NN[6])(H)	N(N[6]C[6]2)(CC[5a]H)	H(CC[5a]N)	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[5a]-3:N-2:H-1:	N[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NN[6a])(H)	N(N[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NN[6a])(H)	N(N[6a]C[6a]2)(CC[5a]H)	H(CC[5a]N)	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6]C[6]2)(NN)(H)	N(CC[6]H)(NCH)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	N(CC[6]H)(NCH)	H(CC[6]N)	120.0592	0.731	25	120.0592	0.534	25	119.8524	4.172	42	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(CC[6]H)(NCH)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(CC[6]H)(NCH)	H(CC[6]N)	120.8397	0.383	14	120.8397	0.147	14	119.8524	4.172	42	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(CC[6]H)(NCuC)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(CC[6]H)(NCuC)	H(CC[6]N)	110.1110	0.000	1	110.1110	0.000	1	119.8524	4.172	42	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(CC[6]H)(NPdC)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(CC[6]H)(NPdC)	H(CC[6]N)	115.2270	1.984	2	115.2270	3.937	2	119.8524	4.172	42	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C-3:S-3:	C-3:	C(C[6]C[6]2)(NS)(H)	N(CC[6]H)(SCO)	H(CC[6]N)	C(C[6]C[6]2)(NS)(H)	N(CC[6]H)(SCO)	H(CC[6]N)	119.4180	0.000	1	119.4180	0.000	1	119.4180	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[5]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5])(H)	N(C[5]C[5]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[5])(H)	N(C[5]C[5]2)(CC[6]H)	H(CC[6]N)	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6]H)	H(CC[6]N)	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6])(H)	N(C[6]C[6]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[6])(H)	N(C[6]C[6]2)(CC[6]H)	H(CC[6]N)	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	117.5680	0.000	1	117.5680	0.000	1	119.2111	2.970	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	H(CC[6]N)	119.1357	2.192	3	119.1357	4.805	3	119.2111	2.970	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	118.5610	1.382	20	118.5610	1.910	20	119.2111	2.970	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6]H)	H(CC[6]N)	118.7290	0.000	1	118.7290	0.000	1	119.2111	2.970	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	119.6002	1.208	16	119.6002	1.460	16	119.2111	2.970	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	C(C[6]N[5,6]C[6])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	123.7755	1.196	2	123.7755	1.430	2	119.2111	2.970	43	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	119.1230	0.471	2	119.1230	0.222	2	116.9603	13.049	10	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Co)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Co)(CC[6]H)	H(CC[6]N)	113.0910	0.000	1	113.0910	0.000	1	116.9603	13.049	10	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Fe)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Fe)(CC[6]H)	H(CC[6]N)	113.1930	0.000	1	113.1930	0.000	1	116.9603	13.049	10	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	121.0677	0.496	3	121.0677	0.246	3	116.9603	13.049	10	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Sn)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Sn)(CC[6]H)	H(CC[6]N)	114.2195	0.347	2	114.2195	0.121	2	116.9603	13.049	10	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Zn)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	N(NC[6a]Zn)(CC[6]H)	H(CC[6]N)	113.4310	0.000	1	113.4310	0.000	1	116.9603	13.049	10	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6]C[6]2)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6]H)	H(CC[6]N)	122.2515	1.162	2	122.2515	1.350	2	122.2515	1.350	2	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[6]C[6]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6]H)	H(CC[6]N)	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCC)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCC)	H(CC[6a]N)	119.1780	0.000	1	119.1780	0.000	1	118.2875	4.049	39	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2)(CC[6a]H)	H(CC[6a]N)	119.5930	0.082	2	119.5930	0.007	2	118.2875	4.049	39	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCC)	H(CC[6a]N)	118.6850	0.553	32	118.6850	0.306	32	118.2875	4.049	39	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCN)	H(CC[6a]N)	116.9090	2.154	2	116.9090	4.639	2	118.2875	4.049	39	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCO)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCO)	H(CC[6a]N)	107.3120	0.000	1	107.3120	0.000	1	118.2875	4.049	39	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CNO)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CNO)	H(CC[6a]N)	115.7960	0.000	1	115.7960	0.000	1	118.2875	4.049	39	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	119.0674	1.204	5	119.0674	1.448	5	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	118.3820	0.000	1	118.3820	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	119.2119	0.891	8	119.2119	0.794	8	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	118.3990	1.469	2	118.3990	2.159	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	118.1490	2.120	12	118.1490	4.496	12	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	119.2540	0.000	1	119.2540	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NHS)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN)(H)	N(CC[6a]H)(NHS)	H(CC[6a]N)	118.4630	0.000	1	118.4630	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCC)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCC)	H(CC[6a]N)	119.8430	0.000	1	119.8430	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	119.3016	1.125	62	119.3016	1.265	62	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6]Ru)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6]Ru)	H(CC[6a]N)	120.3580	0.000	1	120.3580	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]C)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]C)	H(CC[6a]N)	123.5995	4.481	2	123.5995	20.079	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	118.7985	0.064	2	118.7985	0.004	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	118.9640	0.000	1	118.9640	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NHS)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NHS)	H(CC[6a]N)	119.7853	0.506	3	119.7853	0.256	3	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NRuC)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	N(CC[6a]H)(NRuC)	H(CC[6a]N)	118.9905	0.457	2	118.9905	0.209	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NAlC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NAlC)	H(CC[6a]N)	119.3230	0.000	1	119.3230	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCC)	H(CC[6a]N)	120.3437	1.347	23	120.3437	1.816	23	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	119.6495	0.898	1146	119.6495	0.807	1146	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCP)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCP)	H(CC[6a]N)	121.0415	2.063	4	121.0415	4.254	4	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCS)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCS)	H(CC[6a]N)	119.9087	0.205	3	119.9087	0.042	3	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5]C)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5]C)	H(CC[6a]N)	118.9725	0.654	4	118.9725	0.427	4	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5]H)	H(CC[6a]N)	120.3770	2.246	2	120.3770	5.043	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[5a]H)	H(CC[6a]N)	119.9212	0.638	18	119.9212	0.407	18	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6]C)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6]C)	H(CC[6a]N)	120.2615	0.040	2	120.2615	0.002	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6]H)	H(CC[6a]N)	119.7959	0.741	8	119.7959	0.549	8	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6]Ru)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6]Ru)	H(CC[6a]N)	119.8520	0.000	1	119.8520	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a]2)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a]2)	H(CC[6a]N)	120.3912	0.875	10	120.3912	0.766	10	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a]C)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a]C)	H(CC[6a]N)	119.7351	0.640	8	119.7351	0.409	8	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	119.5441	0.821	136	119.5441	0.675	136	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCoC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCoC)	H(CC[6a]N)	116.9235	1.160	2	116.9235	1.346	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCuC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCuC)	H(CC[6a]N)	121.0160	2.897	4	121.0160	8.395	4	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NFeC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NFeC)	H(CC[6a]N)	119.7010	0.000	1	119.7010	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	119.9317	0.541	7	119.9317	0.293	7	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NHP)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NHP)	H(CC[6a]N)	121.7570	0.000	1	121.7570	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NHS)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NHS)	H(CC[6a]N)	119.7433	1.179	30	119.7433	1.389	30	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NIrC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NIrC)	H(CC[6a]N)	119.8540	0.000	1	119.8540	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NP[6]C)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NP[6]C)	H(CC[6a]N)	120.0000	0.443	8	120.0000	0.197	8	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NP[6]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NP[6]H)	H(CC[6a]N)	119.5820	0.000	1	119.5820	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NPdC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NPdC)	H(CC[6a]N)	119.0200	0.000	1	119.0200	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NReC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NReC)	H(CC[6a]N)	123.9250	0.000	1	123.9250	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NRuC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NRuC)	H(CC[6a]N)	119.3960	0.915	4	119.3960	0.837	4	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NSiH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NSiH)	H(CC[6a]N)	119.0930	0.000	1	119.0930	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NSnC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NSnC)	H(CC[6a]N)	118.9930	0.462	2	118.9930	0.214	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NCH)	H(CC[6a]N)	119.5348	2.759	68	119.5348	7.614	68	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NCP)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NCP)	H(CC[6a]N)	121.0293	0.603	7	121.0293	0.363	7	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[5a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[5a]H)	H(CC[6a]N)	115.0660	0.000	1	115.0660	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[6]C)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[6]C)	H(CC[6a]N)	121.2160	0.439	3	121.2160	0.193	3	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[6a]C)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[6a]C)	H(CC[6a]N)	120.2308	0.692	4	120.2308	0.479	4	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NC[6a]H)	H(CC[6a]N)	119.8720	1.012	14	119.8720	1.024	14	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NHH)	H(CC[6a]N)	119.2910	0.000	1	119.2910	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NPdC)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NPdC)	H(CC[6a]N)	111.8780	0.000	1	111.8780	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NReC)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NReC)	H(CC[6a]N)	120.5880	0.000	1	120.5880	0.000	1	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NRuC)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	N(CC[6a]H)(NRuC)	H(CC[6a]N)	119.9630	0.291	2	119.9630	0.085	2	119.6419	1.297	1636	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C-3:S-3:	C-3:	C(C[6a]C[6a]2)(NS)(H)	N(CC[6a]H)(SCO)	H(CC[6a]N)	C(C[6a]C[6a]2)(NS)(H)	N(CC[6a]H)(SCO)	H(CC[6a]N)	118.9186	0.560	5	118.9186	0.314	5	118.9186	0.314	5	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]N[5]S[5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]N[5]S[5])(CC[6a]H)	H(CC[6a]N)	119.0070	0.409	4	119.0070	0.168	4	119.0070	0.168	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	H(CC[6a]N)	118.3080	0.000	1	118.3080	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	117.7160	0.000	1	117.7160	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	H(CC[6a]N)	117.4150	0.000	1	117.4150	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	119.5530	0.581	2	119.5530	0.338	2	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	H(CC[6a]N)	117.5480	0.000	1	117.5480	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	H(CC[6a]N)	119.9640	0.000	1	119.9640	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	118.7675	0.101	4	118.7675	0.010	4	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	117.7390	2.110	5	117.7390	4.452	5	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	H(CC[6a]N)	119.7475	0.330	2	119.7475	0.109	2	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	119.4279	0.808	94	119.4279	0.653	94	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	H(CC[6a]N)	118.9375	0.950	23	118.9375	0.902	23	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	H(CC[6a]N)	119.0513	0.632	11	119.0513	0.400	11	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	118.7509	0.945	24	118.7509	0.892	24	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	H(CC[6a]N)	117.6060	0.000	1	117.6060	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	H(CC[6a]N)	119.2017	0.255	6	119.2017	0.065	6	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	118.8260	0.372	32	118.8260	0.138	32	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	120.2117	0.667	3	120.2117	0.445	3	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	H(CC[6a]N)	118.4040	0.000	1	118.4040	0.000	1	119.1032	0.806	213	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2)(CC[6a]H)	H(CC[6a]N)	120.7520	2.369	2	120.7520	5.611	2	120.7520	5.611	2	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	119.2340	0.000	1	119.2340	0.000	1	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	119.4585	0.159	2	119.4585	0.025	2	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	118.8470	0.306	3	118.8470	0.094	3	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	118.5700	0.000	1	118.5700	0.000	1	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	118.4517	0.908	9	118.4517	0.824	9	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	116.7840	0.000	1	116.7840	0.000	1	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	118.7434	0.951	52	118.7434	0.905	52	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	119.4753	0.565	4	119.4753	0.320	4	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	119.0799	1.106	44	119.0799	1.222	44	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	119.2102	1.339	977	119.2102	1.792	977	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]H)	H(CC[6a]N)	119.0477	0.462	25	119.0477	0.214	25	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]H)	H(CC[6a]N)	120.0835	2.519	2	120.0835	6.347	2	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	119.5547	1.519	48	119.5547	2.308	48	119.1886	1.718	1169	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	117.9890	0.000	1	117.9890	0.000	1	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	H(CC[6a]N)	119.8940	0.344	4	119.8940	0.118	4	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	120.2085	1.240	15	120.2085	1.537	15	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	H(CC[6a]N)	120.5436	1.050	13	120.5436	1.103	13	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	H(CC[6a]N)	119.4200	0.000	1	119.4200	0.000	1	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5,6a]C[5])(CC[6a]H)	H(CC[6a]N)	120.7113	0.371	3	120.7113	0.138	3	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	120.1797	1.134	117	120.1797	1.286	117	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[6a]H)	H(CC[6a]N)	120.0110	0.000	1	120.0110	0.000	1	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5])(H)	N(N[5]C[5]2)(CC[6a]H)	H(CC[6a]N)	120.0740	0.000	1	120.0740	0.000	1	120.1950	1.244	156	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	120.4090	1.735	3	120.4090	3.011	3	119.9930	0.999	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	119.9572	0.963	37	119.9572	0.927	37	119.9930	0.999	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[5a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5a])(H)	N(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]N)	120.0670	0.000	1	120.0670	0.000	1	119.9930	0.999	41	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	N(N[6]B[6]C[6])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	N(N[6]B[6]C[6])(CC[6a]H)	H(CC[6a]N)	120.7590	0.000	1	120.7590	0.000	1	119.9152	1.115	34	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]B[6]C[6])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]B[6]C[6])(CC[6a]H)	H(CC[6a]N)	119.5620	0.000	1	119.5620	0.000	1	119.9152	1.115	34	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6,6a]C[6])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6,6a]C[6])(CC[6a]H)	H(CC[6a]N)	120.8750	0.000	1	120.8750	0.000	1	119.9152	1.115	34	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	N(N[6]C[6]2)(CC[6a]H)	H(CC[6a]N)	119.8684	1.080	31	119.8684	1.166	31	119.9152	1.115	34	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6a])(H)	N(N[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6a])(H)	N(N[6a]C[6a]2)(CC[6a]H)	H(CC[6a]N)	121.5383	2.050	3	121.5383	4.203	3	121.5383	4.203	3	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	C[6a]-3:N-2:H-1:	S-3:C-3:	C-3:	C(C[6a]C[6a]2)(NS)(H)	N(SC[5,6]O)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NS)(H)	N(SC[5,6]O)(CC[6a]H)	H(CC[6a]N)	118.6010	0.000	1	118.6010	0.000	1	118.6010	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C-3:C-3:	C-3:	C(NCC)(NC)(H)	N(CCC)(CHN)	H(CNN)	C(NCC)(NC)(H)	N(CCC)(CHN)	H(CNN)	122.1180	1.246	2	122.1180	1.552	2	122.2765	1.522	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C-3:C-3:	C-3:	C(NCC)(NC)(H)	N(CC[6a]N)(CHN)	H(CNN)	C(NCC)(NC)(H)	N(CC[6a]N)(CHN)	H(CNN)	122.4350	1.707	2	122.4350	2.914	2	122.2765	1.522	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C-3:N-3:	C-3:	C(NC[6a]H)(NN)(H)	N(CHN)(NCC)	H(CNN)	C(NC[6a]H)(NN)(H)	N(CHN)(NCC)	H(CNN)	114.5335	0.671	2	114.5335	0.450	2	114.5335	0.450	2	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NB[6,6]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NB[6,6]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	119.0880	0.000	1	119.0880	0.000	1	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	119.8140	0.000	1	119.8140	0.000	1	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	118.4440	0.000	1	118.4440	0.000	1	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	118.0560	0.000	1	118.0560	0.000	1	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]C[5])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a]C[5])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	117.9350	1.195	2	117.9350	1.428	2	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	119.6182	2.211	14	119.6182	4.890	14	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)	H(CNN)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)	H(CNN)	121.4017	3.282	4	121.4017	10.774	4	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	118.1905	0.965	2	118.1905	0.932	2	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	H(CNN)	124.1080	0.000	1	124.1080	0.000	1	119.7046	5.570	27	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N[5a]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CN[5a]H)	H(CN[5a]N)	C(N[5a]C[5a,6a]C[5a])(NC[6a])(H)	N(C[6a]C[6a]2)(CN[5a]H)	H(CN[5a]N)	119.1110	0.000	1	119.1110	0.000	1	119.1110	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N[6]-3:N-2:H-1:	C-3:C-3:	C-3:	C(N[6]C[6]2)(NC)(H)	N(CN[6]H)2	H(CN[6]N)	C(N[6]C[6]2)(NC)(H)	N(CN[6]H)2	H(CN[6]N)	118.7590	0.185	4	118.7590	0.034	4	118.7590	0.034	4	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N[6]-3:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(N[6]C[6]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CN[6]H)	H(CN[6]N)	C(N[6]C[6]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CN[6]H)	H(CN[6]N)	118.3640	0.000	1	118.3640	0.000	1	118.3640	0.000	1	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:3:	3:	N[6]-3:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(N[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CN[6]H)	H(CN[6]N)	C(N[6]C[6]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CN[6]H)	H(CN[6]N)	118.2677	0.360	3	118.2677	0.130	3	118.2677	0.130	3	119.4713	2.060	3961	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5]C[5]2)(NC)(H)	N(CC[5]H)(CC3)	H(CC[5]N)	C(C[5]C[5]2)(NC)(H)	N(CC[5]H)(CC3)	H(CC[5]N)	119.9155	0.309	2	119.9155	0.095	2	120.0605	0.075	4	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5]C[5]N[5])(NC)(H)	N(CC[5]H)(CC3)	H(CC[5]N)	C(C[5]C[5]N[5])(NC)(H)	N(CC[5]H)(CC3)	H(CC[5]N)	120.2055	0.216	2	120.2055	0.047	2	120.0605	0.075	4	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CC3)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CC3)	H(CC[5a]N)	119.2907	0.450	3	119.2907	0.203	3	118.4160	0.805	47	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	118.0194	0.863	18	118.0194	0.745	18	118.4160	0.805	47	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5a]C[5a]O[5a])(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	117.8160	0.000	1	117.8160	0.000	1	118.4160	0.805	47	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	118.5904	0.522	20	118.5904	0.272	20	118.4160	0.805	47	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[5a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[5a]N[5a]2)(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	C(C[5a]N[5a]2)(NC)(H)	N(CC[5a]H)(CCHH)	H(CC[5a]N)	118.7410	1.743	5	118.7410	3.039	5	118.4160	0.805	47	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6]H)(CCCH)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6]H)(CCCH)	H(CC[6]N)	117.8785	0.179	2	117.8785	0.032	2	119.0151	3.307	11	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6]H)(CCHH)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC)(H)	N(CC[6]H)(CCHH)	H(CC[6]N)	117.7570	0.000	1	117.7570	0.000	1	119.0151	3.307	11	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[6]2)(NC)(H)	N(CC[6]H)(CCHH)	H(CC[6]N)	C(C[6]C[6]2)(NC)(H)	N(CC[6]H)(CCHH)	H(CC[6]N)	119.4565	1.975	8	119.4565	3.901	8	119.0151	3.307	11	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	N(CC[6a]H)(CC3)	H(CC[6a]N)	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	N(CC[6a]H)(CC3)	H(CC[6a]N)	118.7970	0.000	1	118.7970	0.000	1	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[5,6a]C[6a])(NC)(H)	N(CC[6a]H)(CC3)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC)(H)	N(CC[6a]H)(CC3)	H(CC[6a]N)	119.5630	0.000	1	119.5630	0.000	1	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[5,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	121.3563	0.447	3	121.3563	0.200	3	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	117.2395	0.528	2	117.2395	0.279	2	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCCH)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCCH)	H(CC[6a]N)	120.3450	3.059	3	120.3450	9.356	3	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	118.7640	0.830	6	118.7640	0.689	6	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CC3)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CC3)	H(CC[6a]N)	120.0716	1.410	13	120.0716	1.989	13	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCCH)	H(CC[6a]N)	119.1796	0.989	30	119.1796	0.978	30	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	118.9136	1.139	325	118.9136	1.298	325	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CH3)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CH3)	H(CC[6a]N)	119.1010	0.394	5	119.1010	0.155	5	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CHHP)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]H)(CHHP)	H(CC[6a]N)	117.7580	0.996	3	117.7580	0.992	3	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]H)(CCHH)	H(CC[6a]N)	119.9417	1.810	11	119.9417	3.276	11	119.0122	1.474	403	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:N-4:	C-3:	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCHH)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	N(CC[6a]H)(NCHH)	H(CC[6a]N)	119.9825	0.194	2	119.9825	0.038	2	119.9825	0.038	2	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	3:4:	3:	C[6a]-3:N-2:H-1:	C-3:P-4:	C-3:	C(C[6a]C[6a]2)(NP)(H)	N(CC[6a]H)(PBCC)	H(CC[6a]N)	C(C[6a]C[6a]2)(NP)(H)	N(CC[6a]H)(PBCC)	H(CC[6a]N)	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	118.9654	1.467	468	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CCC)(NC)(H)	N(CCHH)(CCH)	H(CCN)	C(CCC)(NC)(H)	N(CCHH)(CCH)	H(CCN)	118.3805	0.295	2	118.3805	0.087	2	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CCC)(NC)(H)	N(CC[6a]2H)(CCH)	H(CCN)	C(CCC)(NC)(H)	N(CC[6a]2H)(CCH)	H(CCN)	118.1935	0.064	2	118.1935	0.004	2	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CCH)(NC)(H)	N(CCHH)(CCH)	H(CCN)	C(CCH)(NC)(H)	N(CCHH)(CCH)	H(CCN)	119.6440	0.000	1	119.6440	0.000	1	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CCH)(NC)(H)	N(CC[6a]2H)(CCH)	H(CCN)	C(CCH)(NC)(H)	N(CC[6a]2H)(CCH)	H(CCN)	118.4577	0.330	3	118.4577	0.109	3	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CCH)(NC)(H)	N(CC[6a]CH)(CCH)	H(CCN)	C(CCH)(NC)(H)	N(CC[6a]CH)(CCH)	H(CCN)	118.6020	0.000	1	118.6020	0.000	1	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CCH)(NC)(H)	N(CC[6a]HH)(CCH)	H(CCN)	C(CCH)(NC)(H)	N(CC[6a]HH)(CCH)	H(CCN)	119.0930	0.000	1	119.0930	0.000	1	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CHN)(NC)(H)	N(CC3)(CCH)	H(CCN)	C(CHN)(NC)(H)	N(CC3)(CCH)	H(CCN)	121.7843	0.615	4	121.7843	0.378	4	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CHN)(NC)(H)	N(CCCH)(CCH)	H(CCN)	C(CHN)(NC)(H)	N(CCCH)(CCH)	H(CCN)	123.2673	0.547	4	123.2673	0.300	4	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CHN)(NC)(H)	N(CCHH)(CCH)	H(CCN)	C(CHN)(NC)(H)	N(CCHH)(CCH)	H(CCN)	119.7830	0.433	6	119.7830	0.187	6	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	C-4:C-3:	C-3:	C(CHN)(NC)(H)	N(CC[6a]2H)(CCH)	H(CCN)	C(CHN)(NC)(H)	N(CC[6a]2H)(CCH)	H(CCN)	123.9530	0.000	1	123.9530	0.000	1	120.3487	3.891	25	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CCC)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	C(CCC)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	119.2130	0.000	1	119.2130	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CCH)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	C(CCH)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	118.7800	0.000	1	118.7800	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CCS)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	C(CCS)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	118.7490	0.000	1	118.7490	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CC[5a]C)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	C(CC[5a]C)(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	117.9230	0.000	1	117.9230	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CC[6a]2)(NS)(H)	N(SC[6a]2O)(CCH)	H(CCN)	C(CC[6a]2)(NS)(H)	N(SC[6a]2O)(CCH)	H(CCN)	117.9330	0.000	1	117.9330	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CC[6a]H)(NS)(H)	N(SC[6a]N[6]O)(CCH)	H(CCN)	C(CC[6a]H)(NS)(H)	N(SC[6a]N[6]O)(CCH)	H(CCN)	118.9250	0.000	1	118.9250	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CC[6a]N[6])(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	C(CC[6a]N[6])(NS)(H)	N(SC[6a]OO)(CCH)	H(CCN)	117.8480	0.000	1	117.8480	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	S-4:C-3:	C-3:	C(CC[6a]O)(NS)(H)	N(SCOO)(CCH)	H(CCN)	C(CC[6a]O)(NS)(H)	N(SCOO)(CCH)	H(CCN)	119.3790	0.000	1	119.3790	0.000	1	118.5938	0.373	8	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C-3:N-2:H-1:	Si-4:C-3:	C-3:	C(CCH)(NSi)(H)	N(SiSi2C)(CCH)	H(CCN)	C(CCH)(NSi)(H)	N(SiSi2C)(CCH)	H(CCN)	113.4650	0.000	1	113.4650	0.000	1	113.4650	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5]C[5]N[5])(NC)(H)	N(CC[6a]2C)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]N[5])(NC)(H)	N(CC[6a]2C)(CC[5]H)	H(CC[5]N)	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]HH)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[5a]HH)(CC[5a]H)	H(CC[5a]N)	117.8470	0.000	1	117.8470	0.000	1	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]3)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]3)(CC[5a]H)	H(CC[5a]N)	117.5860	0.000	1	117.5860	0.000	1	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[5a]N)	118.2772	1.120	4	118.2772	1.254	4	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]HH)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC)(H)	N(CC[6a]HH)(CC[5a]H)	H(CC[5a]N)	117.9900	1.010	6	117.9900	1.019	6	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[5]HH)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[5]HH)(CC[5a]H)	H(CC[5a]N)	118.5550	0.887	2	118.5550	0.786	2	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]CH)(CC[5a]H)	H(CC[5a]N)	118.4124	0.363	7	118.4124	0.131	7	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]HH)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC)(H)	N(CC[6a]HH)(CC[5a]H)	H(CC[5a]N)	118.9107	0.542	3	118.9107	0.294	3	118.3005	0.594	24	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[3x6]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[3x6])(H)	N(C[3x6]C[6,6]3)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[3x6])(H)	N(C[3x6]C[6,6]3)(CC[5a]H)	H(CC[5a]N)	119.1115	0.080	2	119.1115	0.006	2	119.1115	0.006	2	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[5a]H)	H(CC[5a]N)	117.9263	0.351	3	117.9263	0.123	3	118.1720	0.323	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[5])(H)	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	H(CC[5a]N)	118.9090	0.000	1	118.9090	0.000	1	118.1720	0.323	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	H(CC[5a]N)	117.4241	1.211	15	117.4241	1.466	15	118.3122	4.228	20	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]O[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	H(CC[5a]N)	122.5490	0.853	2	122.5490	0.727	2	118.3122	4.228	20	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[6])(H)	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[6])(H)	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	H(CC[5a]N)	119.1650	0.124	2	119.1650	0.015	2	118.3122	4.228	20	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]S[5a])(NC[6])(H)	N(C[6]C[6]2H)(CC[5a]H)	H(CC[5a]N)	121.4550	0.000	1	121.4550	0.000	1	118.3122	4.228	20	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	S-4:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(NS)(H)	N(SC[6a]OO)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a,6a]C[5a])(NS)(H)	N(SC[6a]OO)(CC[5a]H)	H(CC[5a]N)	118.9330	0.332	2	118.9330	0.110	2	118.4640	0.715	3	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[5a]-3:N-2:H-1:	S-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(NS)(H)	N(SC[6a]OO)(CC[5a]H)	H(CC[5a]N)	C(C[5a]C[5a]N[5a])(NS)(H)	N(SC[6a]OO)(CC[5a]H)	H(CC[5a]N)	117.5260	0.000	1	117.5260	0.000	1	118.4640	0.715	3	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6,6]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	H(CC[6,6]N)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	H(CC[6,6]N)	117.8782	0.432	6	117.8782	0.187	6	117.8782	0.187	6	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6]C[6]N[6])(NC)(H)	N(CC[6a]3)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NC)(H)	N(CC[6a]3)(CC[6]H)	H(CC[6]N)	119.4950	0.342	2	119.4950	0.117	2	119.8565	0.213	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6]C[6]N[6])(NC)(H)	N(CC[6a]CH)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NC)(H)	N(CC[6a]CH)(CC[6]H)	H(CC[6]N)	120.2180	0.001	2	120.2180	0.000	2	119.8565	0.213	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6]C[6]N[6])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6]H)	H(CC[6]N)	120.0763	1.465	4	120.0763	2.148	4	120.0763	2.148	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6]H)	H(CC[6]N)	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6]-3:N-2:H-1:	S-4:C-3:	C-3:	C(C[6]C[6]2)(NS)(H)	N(SC[6a]OO)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2)(NS)(H)	N(SC[6a]OO)(CC[6]H)	H(CC[6]N)	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[5a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[5a]HH)(CC[6a]H)	H(CC[6a]N)	121.9330	0.000	1	121.9330	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	119.0730	0.000	1	119.0730	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[5a]HH)(CC[6a]H)	H(CC[6a]N)	117.8390	0.000	1	117.8390	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]N)	119.0790	0.000	1	119.0790	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	118.4720	1.070	5	118.4720	1.145	5	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[3x6]CH)(CC[6a]H)	H(CC[6a]N)	118.2183	0.977	6	118.2183	0.955	6	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[5]CC)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[5]CC)(CC[6a]H)	H(CC[6a]N)	123.1960	0.074	2	123.1960	0.005	2	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[5]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[5]HH)(CC[6a]H)	H(CC[6a]N)	119.1025	0.292	2	119.1025	0.085	2	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[5a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[5a]HH)(CC[6a]H)	H(CC[6a]N)	118.9000	0.000	1	118.9000	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	H(CC[6a]N)	118.9240	0.000	1	118.9240	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6,6]C[6a]H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6,6]C[6a]H)(CC[6a]H)	H(CC[6a]N)	118.6880	0.000	1	118.6880	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CC)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CC)(CC[6a]H)	H(CC[6a]N)	119.6660	0.000	1	119.6660	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]CH)(CC[6a]H)	H(CC[6a]N)	118.7490	1.153	4	118.7490	1.328	4	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6]HH)(CC[6a]H)	H(CC[6a]N)	119.8091	1.440	14	119.8091	2.074	14	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]2H)(CC[6a]H)	H(CC[6a]N)	118.9182	1.757	6	118.9182	3.088	6	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]3)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]3)(CC[6a]H)	H(CC[6a]N)	119.8363	0.525	3	119.8363	0.275	3	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CC)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CC)(CC[6a]H)	H(CC[6a]N)	118.9166	0.534	19	118.9166	0.285	19	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	H(CC[6a]N)	118.9921	1.340	75	118.9921	1.794	75	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CoH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]CoH)(CC[6a]H)	H(CC[6a]N)	118.9850	0.000	1	118.9850	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	119.3489	2.205	50	119.3489	4.863	50	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HN)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	N(CC[6a]HN)(CC[6a]H)	H(CC[6a]N)	120.5233	1.187	4	120.5233	1.410	4	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6]HH)(CC[6a]H)	H(CC[6a]N)	119.1140	0.000	1	119.1140	0.000	1	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]3)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]3)(CC[6a]H)	H(CC[6a]N)	120.3158	0.698	4	120.3158	0.488	4	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	N(CC[6a]HH)(CC[6a]H)	H(CC[6a]N)	119.1215	0.237	2	119.1215	0.056	2	119.2072	2.509	206	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[3]-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	N(C[3]C[3]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	N(C[3]C[3]2H)(CC[6a]H)	H(CC[6a]N)	118.1140	0.000	1	118.1140	0.000	1	118.9098	0.297	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[3]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3])(H)	N(C[3]C[3]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3])(H)	N(C[3]C[3]2H)(CC[6a]H)	H(CC[6a]N)	119.1750	0.152	3	119.1750	0.023	3	118.9098	0.297	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[3x6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	N(C[3x6]C[6,6]3)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6])(H)	N(C[3x6]C[6,6]3)(CC[6a]H)	H(CC[6a]N)	120.9701	2.379	10	120.9701	5.658	10	120.9701	5.658	10	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[5,6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5,6])(H)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5,6])(H)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	H(CC[6a]N)	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6a]H)	H(CC[6a]N)	119.1630	0.171	2	119.1630	0.029	2	119.0266	0.115	16	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6a]H)	H(CC[6a]N)	118.6903	0.340	3	118.6903	0.116	3	119.0266	0.115	16	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	N(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]N)	118.7090	0.000	1	118.7090	0.000	1	119.0266	0.115	16	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2Fe)(CC[6a]H)	H(CC[6a]N)	118.9993	0.463	4	118.9993	0.214	4	119.0266	0.115	16	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5])(H)	N(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]N)	119.2205	0.152	6	119.2205	0.023	6	119.0266	0.115	16	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6,6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[3x6]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[3x6]2H)(CC[6a]H)	H(CC[6a]N)	119.6750	0.000	1	119.6750	0.000	1	118.9378	0.179	5	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6,6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	H(CC[6a]N)	118.7780	0.020	2	118.7780	0.000	2	118.9378	0.179	5	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6,6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[6,6]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[6,6]2H)(CC[6a]H)	H(CC[6a]N)	118.6000	0.000	1	118.6000	0.000	1	118.9378	0.179	5	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6,6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	H(CC[6a]N)	118.8580	0.000	1	118.8580	0.000	1	118.9378	0.179	5	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]N)	119.7563	2.112	3	119.7563	4.459	3	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6]C)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6]C[6]C)(CC[6a]H)	H(CC[6a]N)	118.6040	0.000	1	118.6040	0.000	1	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	H(CC[6a]N)	118.5850	0.000	1	118.5850	0.000	1	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2C)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2C)(CC[6a]H)	H(CC[6a]N)	119.3305	0.308	2	119.3305	0.095	2	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]N)	119.1797	1.337	284	119.1797	1.786	284	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	H(CC[6a]N)	119.8610	1.926	4	119.8610	3.709	4	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(H)	N(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]N)	119.6654	1.422	18	119.6654	2.021	18	119.2191	1.819	313	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	P-4:C-3:	C-3:	C(C[6a]C[6a]2)(NP)(H)	N(PC[6a]2S)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NP)(H)	N(PC[6a]2S)(CC[6a]H)	H(CC[6a]N)	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	C[6a]-3:N-2:H-1:	S-4:C-3:	C-3:	C(C[6a]C[6a]2)(NS)(H)	N(SC[6a]OO)(CC[6a]H)	H(CC[6a]N)	C(C[6a]C[6a]2)(NS)(H)	N(SC[6a]OO)(CC[6a]H)	H(CC[6a]N)	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	N-3:N-2:H-1:	C-4:C-3:	C-3:	C(NB[5]C)(NC)(H)	N(CC3)(CHN)	H(CNN)	C(NB[5]C)(NC)(H)	N(CC3)(CHN)	H(CNN)	117.6540	0.000	1	117.6540	0.000	1	117.4055	0.124	2	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	N-3:N-2:H-1:	C-4:C-3:	C-3:	C(NCH)(NC)(H)	N(CCCH)(CHN)	H(CNN)	C(NCH)(NC)(H)	N(CCCH)(CHN)	H(CNN)	117.1570	0.000	1	117.1570	0.000	1	117.4055	0.124	2	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	N-3:N-2:H-1:	C[5]-4:C-3:	C-3:	C(NC[5]H)(NC[5])(H)	N(C[5]C[5]2Fe)(CHN)	H(CNN)	C(NC[5]H)(NC[5])(H)	N(C[5]C[5]2Fe)(CHN)	H(CNN)	117.8290	0.099	4	117.8290	0.010	4	117.8290	0.010	4	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	N-3:N-2:H-1:	S-4:C-3:	C-3:	C(NCC)(NS)(H)	N(SC[6a]OO)(CHN)	H(CNN)	C(NCC)(NS)(H)	N(SC[6a]OO)(CHN)	H(CNN)	118.3705	0.251	2	118.3705	0.063	2	118.4440	0.048	3	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	3:2:1:	4:3:	3:	N-3:N-2:H-1:	S-4:C-3:	C-3:	C(NC[6a]C)(NS)(H)	N(SC[6a]OO)(CHN)	H(CNN)	C(NC[6a]C)(NS)(H)	N(SC[6a]OO)(CHN)	H(CNN)	118.5910	0.000	1	118.5910	0.000	1	118.4440	0.048	3	119.1548	2.295	670	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	2:3:	3:	C-4:N-2:H-1:	N-2:C-3:	C-3:	C(CF3)(NN)(H)	N(NC[5])(CCH)	H(CCN)	C(CF3)(NN)(H)	N(NC[5])(CCH)	H(CCN)	120.2443	1.164	3	120.2443	1.355	3	120.2443	1.355	3	120.2443	1.355	3	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:1:	3:	C-4:N-2:H-1:	C-3:H-1:	C-3:	C(CH3)(NH)(H)	N(CCH)(H)	H(CCN)	C(CH3)(NH)(H)	N(CCH)(H)	H(CCN)	115.1160	0.000	1	115.1160	0.000	1	115.1160	0.000	1	115.1160	0.000	1	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C-4:N-2:H-1:	C-3:O-2:	C-3:	C(CB[5,5]C[6]H)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CB[5,5]C[6]H)(NO)(H)	N(CCH)(OH)	H(CCN)	119.3590	0.000	1	119.3590	0.000	1	118.2018	2.417	9	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C-4:N-2:H-1:	C-3:O-2:	C-3:	C(CC3)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CC3)(NO)(H)	N(CCH)(OH)	H(CCN)	118.9550	0.233	4	118.9550	0.054	4	118.2018	2.417	9	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C-4:N-2:H-1:	C-3:O-2:	C-3:	C(CCCH)(NO)(H)	N(CCH)(OC)	H(CCN)	C(CCCH)(NO)(H)	N(CCH)(OC)	H(CCN)	116.5140	0.000	1	116.5140	0.000	1	118.2018	2.417	9	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C-4:N-2:H-1:	C-3:O-2:	C-3:	C(CCHH)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CCHH)(NO)(H)	N(CCH)(OH)	H(CCN)	116.7260	0.000	1	116.7260	0.000	1	118.2018	2.417	9	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C-4:N-2:H-1:	C-3:O-2:	C-3:	C(CC[6]CH)(NO)(H)	N(CCH)(OH)	H(CCN)	C(CC[6]CH)(NO)(H)	N(CCH)(OH)	H(CCN)	117.6985	3.167	2	117.6985	10.031	2	118.2018	2.417	9	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C[5,6]-4:N-2:H-1:	C-3:N-2:	C-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CC[5,6]H)(NS)	H(CC[5,6]N)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CC[5,6]H)(NS)	H(CC[5,6]N)	118.3970	0.478	2	118.3970	0.228	2	118.3970	0.228	2	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C[5]-4:N-2:H-1:	C-3:N-2:	C-3:	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NC)	H(CC[5]N)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NC)	H(CC[5]N)	119.0968	0.175	4	119.0968	0.030	4	119.0968	0.030	4	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C[5]-4:N-2:H-1:	C-3:O-2:	C-3:	C(C[5]C[5]2Fe)(NO)(H)	N(CC[5]H)(OC)	H(CC[5]N)	C(C[5]C[5]2Fe)(NO)(H)	N(CC[5]H)(OC)	H(CC[5]N)	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C[6]-4:N-2:H-1:	C-3:N-2:	C-3:	C(C[6]C[6]2P)(NN)(H)	N(CC[6]H)(NS)	H(CC[6]N)	C(C[6]C[6]2P)(NN)(H)	N(CC[6]H)(NS)	H(CC[6]N)	118.6640	0.000	1	118.6640	0.000	1	122.5655	30.443	2	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	C[6]-4:N-2:H-1:	C-3:N-2:	C-3:	C(C[6]C[6]O[6]H)(NN)(H)	N(CC[6]H)(NS)	H(CC[6]N)	C(C[6]C[6]O[6]H)(NN)(H)	N(CC[6]H)(NS)	H(CC[6]N)	126.4670	0.000	1	126.4670	0.000	1	122.5655	30.443	2	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	Si-4:N-2:H-1:	C-3:N-2:	C-3:	C(SiC3)(NN)(H)	N(CSiH)(NFe)	H(CSiN)	C(SiC3)(NN)(H)	N(CSiH)(NFe)	H(CSiN)	117.8310	0.000	1	117.8310	0.000	1	112.5390	56.011	2	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:2:	3:	Si-4:N-2:H-1:	C-3:N-2:	C-3:	C(SiC3)(NN)(H)	N(CSiH)(NW)	H(CSiN)	C(SiC3)(NN)(H)	N(CSiH)(NW)	H(CSiN)	107.2470	0.000	1	107.2470	0.000	1	112.5390	56.011	2	118.3317	11.199	20	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	C-3:	C(CCCH)(NN)(H)	N(CCH)(NCC)	H(CCN)	C(CCCH)(NN)(H)	N(CCH)(NCC)	H(CCN)	120.4250	0.000	1	120.4250	0.000	1	119.8020	0.324	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	C-3:	C(CCHH)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CCHH)(NN)(H)	N(CCH)(NCH)	H(CCN)	119.6594	0.566	13	119.6594	0.320	13	119.8020	0.324	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	C-3:	C(CCHH)(NN)(H)	N(CCH)(NHS)	H(CCN)	C(CCHH)(NN)(H)	N(CCH)(NHS)	H(CCN)	120.1990	0.000	1	120.1990	0.000	1	119.8020	0.324	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	C-3:	C(CC[6a]CC)(NN)(H)	N(CCH)(NHS)	H(CCN)	C(CC[6a]CC)(NN)(H)	N(CCH)(NHS)	H(CCN)	119.9170	0.000	1	119.9170	0.000	1	119.8020	0.324	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:N-3:	C-3:	C(CN[6a]HH)(NN)(H)	N(CCH)(NCH)	H(CCN)	C(CN[6a]HH)(NN)(H)	N(CCH)(NCH)	H(CCN)	120.5210	0.000	1	120.5210	0.000	1	119.8020	0.324	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C-3:S-3:	C-3:	C(CCHN)(NS)(H)	N(CCH)(SCO)	H(CCN)	C(CCHN)(NS)(H)	N(CCH)(SCO)	H(CCN)	119.1375	0.269	2	119.1375	0.073	2	119.1375	0.073	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(CC[5a]C[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	116.6680	0.000	1	116.6680	0.000	1	117.7228	0.594	6	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[6a]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(CC[6a]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	117.8453	0.797	3	117.8453	0.635	3	117.7228	0.594	6	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[6a]CC)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(CC[6a]CC)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	118.4570	0.000	1	118.4570	0.000	1	117.7228	0.594	6	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[6a]HH)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	C(CC[6a]HH)(NC[6a])(H)	N(C[6a]C[6a]2)(CCH)	H(CCN)	117.6760	0.000	1	117.6760	0.000	1	117.7228	0.594	6	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CCCH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCCH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	118.7730	0.000	1	118.7730	0.000	1	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CCHH)(NN)(H)	N(NC[6]H)(CCH)	H(CCN)	C(CCHH)(NN)(H)	N(NC[6]H)(CCH)	H(CCN)	119.5067	0.638	3	119.5067	0.407	3	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CCHH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCHH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	121.7640	0.000	1	121.7640	0.000	1	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CCHO)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CCHO)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	125.8830	0.000	1	125.8830	0.000	1	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CC[5]HH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CC[5]HH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	120.6132	0.717	4	120.6132	0.513	4	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CC[6]HH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CC[6]HH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	119.8317	1.175	7	119.8317	1.382	7	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CC[6a]FF)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CC[6a]FF)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	120.6680	0.000	1	120.6680	0.000	1	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CC[6a]HH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CC[6a]HH)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	121.0255	2.122	2	121.0255	4.503	2	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CH3)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	C(CH3)(NN)(H)	N(NC[6a]H)(CCH)	H(CCN)	119.7265	0.795	2	119.7265	0.633	2	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N-3:C-3:	C-3:	C(CHHN)(NN)(H)	N(NC[6]H)(CCH)	H(CCN)	C(CHHN)(NN)(H)	N(NC[6]H)(CCH)	H(CCN)	120.0530	0.344	3	120.0530	0.118	3	120.3418	2.394	25	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	N[5]-3:C-3:	C-3:	C(CC[6a]CC)(NN[5])(H)	N(N[5]C[5]2)(CCH)	H(CCN)	C(CC[6a]CC)(NN[5])(H)	N(N[5]C[5]2)(CCH)	H(CCN)	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C-4:N-2:H-1:	S-3:C-3:	C-3:	C(CC[6,6]HH)(NS)(H)	N(SC[6a]O)(CCH)	H(CCN)	C(CC[6,6]HH)(NS)(H)	N(SC[6a]O)(CCH)	H(CCN)	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[3,5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(NN)(H)	N(CC[3,5]H)(NC[6a]H)	H(CC[3,5]N)	C(C[3,5]C[3,5]C[3]C[5])(NN)(H)	N(CC[3,5]H)(NC[6a]H)	H(CC[3,5]N)	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[3]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[3]C[3]2C)(NN)(H)	N(CC[3]H)(NHS)	H(CC[3]N)	C(C[3]C[3]2C)(NN)(H)	N(CC[3]H)(NHS)	H(CC[3]N)	124.1490	0.000	1	124.1490	0.000	1	123.1645	1.938	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[3]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[3]C[3]N[3]H)(NN)(H)	N(CC[3]H)(NCS)	H(CC[3]N)	C(C[3]C[3]N[3]H)(NN)(H)	N(CC[3]H)(NCS)	H(CC[3]N)	122.1800	0.000	1	122.1800	0.000	1	123.1645	1.938	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[3x6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[3x6]C[4x6]2H)(NN)(H)	N(CC[3x6]H)(NC[6a]H)	H(CC[3x6]N)	C(C[3x6]C[4x6]2H)(NN)(H)	N(CC[3x6]H)(NC[6a]H)	H(CC[3x6]N)	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[4]-4:N-2:H-1:	N-3:C-3:	C-3:	C(C[4]C[4]2H)(NN)(H)	N(NC[6a]H)(CC[4]H)	H(CC[4]N)	C(C[4]C[4]2H)(NN)(H)	N(NC[6a]H)(CC[4]H)	H(CC[4]N)	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5,5,6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	N(CC[5,5,6]H)(NHS)	H(CC[5,5,6]N)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	N(CC[5,5,6]H)(NHS)	H(CC[5,5,6]N)	120.9030	0.000	1	120.9030	0.000	1	120.9030	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5,5]-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5,5]H)	H(CC[5,5]N)	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5,5]H)	H(CC[5,5]N)	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5,6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CC[5,6]H)(NCH)	H(CC[5,6]N)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CC[5,6]H)(NCH)	H(CC[5,6]N)	120.9850	0.000	1	120.9850	0.000	1	119.2445	3.350	4	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5,6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CC[5,6]H)(NHS)	H(CC[5,6]N)	C(C[5,6]C[5,6]2C[6])(NN)(H)	N(CC[5,6]H)(NHS)	H(CC[5,6]N)	117.7175	0.794	2	117.7175	0.631	2	119.2445	3.350	4	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5,6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	N(CC[5,6]H)(NC[6a]H)	H(CC[5,6]N)	C(C[5,6]C[5,6]C[6]N[5])(NN)(H)	N(CC[5,6]H)(NC[6a]H)	H(CC[5,6]N)	120.5580	0.000	1	120.5580	0.000	1	119.2445	3.350	4	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2C)(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	C(C[5]C[5]2C)(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	119.2175	0.322	2	119.2175	0.104	2	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2C[6])(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	C(C[5]C[5]2C[6])(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	120.6375	0.457	2	120.6375	0.209	2	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NCC)	H(CC[5]N)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NCC)	H(CC[5]N)	120.2870	0.010	2	120.2870	0.000	2	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NCH)	H(CC[5]N)	119.6644	0.384	7	119.6644	0.147	7	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NC[6]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NN)(H)	N(CC[5]H)(NC[6]H)	H(CC[5]N)	118.4160	0.000	1	118.4160	0.000	1	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2Mn)(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	C(C[5]C[5]2Mn)(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	120.0580	0.062	2	120.0580	0.004	2	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[5]C[5]2Re)(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	C(C[5]C[5]2Re)(NN)(H)	N(CC[5]H)(NHS)	H(CC[5]N)	120.4700	0.000	1	120.4700	0.000	1	119.8198	0.398	17	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C-3:S-3:	C-3:	C(C[5]C[5]2H)(NS)(H)	N(CC[5]H)(SCO)	H(CC[5]N)	C(C[5]C[5]2H)(NS)(H)	N(CC[5]H)(SCO)	H(CC[5]N)	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C[5a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5]H)	H(CC[5]N)	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]C[5]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	118.2137	0.362	3	118.2137	0.131	3	119.0173	1.882	21	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]H)	H(CC[5]N)	119.6614	1.240	5	119.6614	1.537	5	119.0173	1.882	21	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[5]H)	H(CC[5]N)	118.9551	1.505	13	118.9551	2.264	13	119.0173	1.882	21	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	N-3:C-3:	C-3:	C(C[5]C[5]2H)(NN)(H)	N(NC[6a]H)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2H)(NN)(H)	N(NC[6a]H)(CC[5]H)	H(CC[5]N)	119.7445	0.612	2	119.7445	0.374	2	119.7445	0.374	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[5]-4:N-2:H-1:	N[5]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NN[5])(H)	N(N[5]C[5,6]C[5])(CC[5]H)	H(CC[5]N)	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	C-3:C-3:	C-3:	C(C[6]C[6]2H)(NC)(H)	N(CC[6a]C)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2H)(NC)(H)	N(CC[6a]C)(CC[6]H)	H(CC[6]N)	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[6]C[6,6]C[6]H)(NN)(H)	N(CC[6]H)(NHS)	H(CC[6]N)	C(C[6]C[6,6]C[6]H)(NN)(H)	N(CC[6]H)(NHS)	H(CC[6]N)	119.2250	0.000	1	119.2250	0.000	1	120.0280	1.290	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	C-3:N-3:	C-3:	C(C[6]C[6]2P)(NN)(H)	N(CC[6]H)(NHS)	H(CC[6]N)	C(C[6]C[6]2P)(NN)(H)	N(CC[6]H)(NHS)	H(CC[6]N)	120.8310	0.000	1	120.8310	0.000	1	120.0280	1.290	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]2C)(NC[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)	H(CC[6]N)	118.1133	0.055	3	118.1133	0.003	3	118.1133	0.003	3	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[5,6]C[6]H)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	C(C[6]C[5,6]C[6]H)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	119.5250	0.000	1	119.5250	0.000	1	119.9052	0.249	4	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6,6]C[6]H)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	C(C[6]C[6,6]C[6]H)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	120.5970	0.000	1	120.5970	0.000	1	119.9052	0.249	4	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	C[6]-4:N-2:H-1:	N-3:C-3:	C-3:	C(C[6]C[6]O[6]C)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]O[6]C)(NN)(H)	N(NC[6a]H)(CC[6]H)	H(CC[6]N)	119.7495	0.272	2	119.7495	0.074	2	119.9052	0.249	4	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	P-4:N-2:H-1:	N-3:C-3:	C-3:	C(PC[6a]2Pt)(NN)(H)	N(NC[5]Pt)(CHP)	H(CNP)	C(PC[6a]2Pt)(NN)(H)	N(NC[5]Pt)(CHP)	H(CNP)	120.4015	0.139	2	120.4015	0.019	2	120.4015	0.019	2	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:3:	3:	Si-4:N-2:H-1:	N-3:C-3:	C-3:	C(SiC[6a]2C)(NN)(H)	N(NC[6a]H)(CSiH)	H(CSiN)	C(SiC[6a]2C)(NN)(H)	N(NC[6a]H)(CSiH)	H(CSiN)	122.0430	0.000	1	122.0430	0.000	1	122.0430	0.000	1	119.6792	1.846	119	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:4:	3:	C[5]-4:N-2:H-1:	C-3:C-4:	C-3:	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCCH)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCCH)	H(CC[5]N)	118.7655	0.136	2	118.7655	0.019	2	118.5947	0.097	3	118.3088	0.464	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:4:	3:	C[5]-4:N-2:H-1:	C-3:C-4:	C-3:	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCHH)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]H)(CCHH)	H(CC[5]N)	118.2530	0.000	1	118.2530	0.000	1	118.5947	0.097	3	118.3088	0.464	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	3:4:	3:	C[6]-4:N-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[6]2C)(NC)(H)	N(CC[6]H)(CCHH)	H(CC[6]N)	C(C[6]C[6]2C)(NC)(H)	N(CC[6]H)(CCHH)	H(CC[6]N)	117.8800	1.025	2	117.8800	1.051	2	117.8800	1.051	2	118.3088	0.464	5	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	C-4:C-3:	C-3:	C(CCCS)(NC)(H)	N(CCHH)(CCH)	H(CCN)	C(CCCS)(NC)(H)	N(CCHH)(CCH)	H(CCN)	117.8295	0.108	2	117.8295	0.012	2	119.2302	1.631	8	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	C-4:C-3:	C-3:	C(CC[6a]2C)(NC)(H)	N(CCCH)(CCH)	H(CCN)	C(CC[6a]2C)(NC)(H)	N(CCCH)(CCH)	H(CCN)	118.0680	0.000	1	118.0680	0.000	1	119.2302	1.631	8	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	C-4:C-3:	C-3:	C(CCoCH)(NC)(H)	N(CC3)(CCH)	H(CCN)	C(CCoCH)(NC)(H)	N(CC3)(CCH)	H(CCN)	119.9095	0.511	2	119.9095	0.261	2	119.2302	1.631	8	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	C-4:C-3:	C-3:	C(CIrCH)(NC)(H)	N(CC3)(CCH)	H(CCN)	C(CIrCH)(NC)(H)	N(CC3)(CCH)	H(CCN)	119.1770	0.000	1	119.1770	0.000	1	119.2302	1.631	8	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	C-4:C-3:	C-3:	C(CN3)(NC)(H)	N(CCHH)(CCH)	H(CCN)	C(CN3)(NC)(H)	N(CCHH)(CCH)	H(CCN)	121.3990	0.000	1	121.3990	0.000	1	119.2302	1.631	8	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	C-4:C-3:	C-3:	C(CRhCH)(NC)(H)	N(CC3)(CCH)	H(CCN)	C(CRhCH)(NC)(H)	N(CC3)(CCH)	H(CCN)	119.7200	0.000	1	119.7200	0.000	1	119.2302	1.631	8	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C-4:N-2:H-1:	P-4:C-3:	C-3:	C(CH3)(NP)(H)	N(PPdOO)(CCH)	H(CCN)	C(CH3)(NP)(H)	N(PPdOO)(CCH)	H(CCN)	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[3]-4:N-2:H-1:	C-4:C-3:	C-3:	C(C[3]C[3,4]2H)(NC)(H)	N(CC[3x6]CH)(CC[3]H)	H(CC[3]N)	C(C[3]C[3,4]2H)(NC)(H)	N(CC[3x6]CH)(CC[3]H)	H(CC[3]N)	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[4]-4:N-2:H-1:	C-4:C-3:	C-3:	C(C[4]C[4]N[4]H)(NC)(H)	N(CC[6a]CH)(CC[4]H)	H(CC[4]N)	C(C[4]C[4]N[4]H)(NC)(H)	N(CC[6a]CH)(CC[4]H)	H(CC[4]N)	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	C-4:C-3:	C-3:	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]HH)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[5]HH)(CC[5]H)	H(CC[5]N)	118.8940	0.000	1	118.8940	0.000	1	119.0770	1.083	7	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	C-4:C-3:	C-3:	C(C[5]C[5]2Fe)(NC)(H)	N(CC[6a]CH)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[6a]CH)(CC[5]H)	H(CC[5]N)	121.4130	0.000	1	121.4130	0.000	1	119.0770	1.083	7	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	C-4:C-3:	C-3:	C(C[5]C[5]2Fe)(NC)(H)	N(CC[6a]HH)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC)(H)	N(CC[6a]HH)(CC[5]H)	H(CC[5]N)	118.6464	0.143	5	118.6464	0.020	5	119.0770	1.083	7	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[5]C[5]2Fe)(NC[5])(H)	N(C[5]C[5]2Re)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC[5])(H)	N(C[5]C[5]2Re)(CC[5]H)	H(CC[5]N)	119.2710	0.000	1	119.2710	0.000	1	119.4395	0.057	2	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	C[5]-4:C-3:	C-3:	C(C[5]C[5]2Re)(NC[5])(H)	N(C[5]C[5]2Fe)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Re)(NC[5])(H)	N(C[5]C[5]2Fe)(CC[5]H)	H(CC[5]N)	119.6080	0.000	1	119.6080	0.000	1	119.4395	0.057	2	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	C[6]-4:C-3:	C-3:	C(C[5]C[5]2Fe)(NC[6])(H)	N(C[6]C[6]2H)(CC[5]H)	H(CC[5]N)	C(C[5]C[5]2Fe)(NC[6])(H)	N(C[6]C[6]2H)(CC[5]H)	H(CC[5]N)	120.0160	0.000	1	120.0160	0.000	1	120.0160	0.000	1	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[5]-4:N-2:H-1:	S-4:C-3:	C-3:	C(C[5]C[6a]C[5]N[5])(NS)(H)	N(SC[6a]OO)(CC[5]H)	H(CC[5]N)	C(C[5]C[6a]C[5]N[5])(NS)(H)	N(SC[6a]OO)(CC[5]H)	H(CC[5]N)	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	4:2:1:	4:3:	3:	C[6]-4:N-2:H-1:	S-4:C-3:	C-3:	C(C[6]C[6]N[6]S)(NS)(H)	N(SC[6a]OO)(CC[6]H)	H(CC[6]N)	C(C[6]C[6]N[6]S)(NS)(H)	N(SC[6a]OO)(CC[6]H)	H(CC[6]N)	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	119.2277	2.544	23	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	5:2:1:	3:3:	3:	C[3x3,4,3x5,14x6]-5:N-2:H-1:	C-3:C[6a]-3:	C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(H)	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	H(CC[3x3,4,3x5,14x6]N)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a])(H)	N(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)	H(CC[3x3,4,3x5,14x6]N)	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.3740	2.309	6157	119.3740	2.309	6157
930	941	951	0:SP2_SP-NON_SP2	C	N	H	6:2:1:	3:3:	3:	C[5x3,5x5,20x6]-6:N-2:H-1:	C-3:C[6a]-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	H(CC[5x3,5x5,20x6]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])(H)	N(CC[5x3,5x5,20x6]H)(C[6a]C[6a]2)	H(CC[5x3,5x5,20x6]N)	118.8090	0.791	2	118.8090	0.625	2	118.8090	0.625	2	118.8090	0.625	2	119.3740	2.309	6157	119.3740	2.309	6157
930	941	952	0:SP2_SP2_SP3	C	N	S	3:4:2:	3:2:	3:3:1:1:	C[6a]-3:S-4:N-2:	C-3:O-2:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	N(CC[6a]S)(OH)	S(C[6a]C[6a]2)(CC[6a]N)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(NO)	N(CC[6a]S)(OH)	S(C[6a]C[6a]2)(CC[6a]N)(O)2	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	121.5673	34.414	9	121.5673	34.414	9
930	941	952	0:SP2_SP2_SP3	C	N	S	4:3:2:	3:2:	3:1:1:1:	S-4:N-3:N-2:	C-3:N-2:	C-3:O-1:O-1:O-1:	C(SO3)(NHH)(NN)	N(CNS)(NC)	S(CNN)(O)3	C(SO3)(NHH)(NN)	N(CNS)(NC)	S(CNN)(O)3	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	121.5673	34.414	9	121.5673	34.414	9
930	941	952	0:SP2_SP2_SP3	C	N	S	4:3:2:	3:3:	3:3:1:1:	S-4:C-3:N-2:	N-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCN)(NN)	N(NC[6a]H)(CCS)	S(C[6a]C[6a]2)(CCN)(O)2	C(SC[6a]OO)(CCN)(NN)	N(NC[6a]H)(CCS)	S(C[6a]C[6a]2)(CCN)(O)2	110.3690	0.000	1	110.3690	0.000	1	123.1317	31.893	7	123.1317	31.893	7	121.5673	34.414	9	121.5673	34.414	9
930	941	952	0:SP2_SP2_SP3	C	N	S	4:3:2:	3:3:	3:3:1:1:	S-4:C-3:N-2:	N-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(NN)	N(NC[6a]H)(CCS)	S(C[6a]C[6a]2)(CCN)(O)2	C(SC[6a]OO)(CC[6a]O)(NN)	N(NC[6a]H)(CCS)	S(C[6a]C[6a]2)(CCN)(O)2	125.2588	0.514	6	125.2588	0.264	6	123.1317	31.893	7	123.1317	31.893	7	121.5673	34.414	9	121.5673	34.414	9
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	3:3:1:	N-2:N-2:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])2(NCH)	N(C[6a]C[6a]2)(CNN)	N(CC[5]O)(CNN)(H)	C(NC[6a])2(NCH)	N(C[6a]C[6a]2)(CNN)	N(CC[5]O)(CNN)(H)	117.7770	5.863	2	117.7770	34.379	2	117.7770	34.379	2	117.7770	34.379	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:3:1:	N-2:N-2:N-3:	C[3]-3:C-3:	C-4:C-3:H-1:	C(NC[3])2(NCH)	N(C[3]C[3]2)(CNN)	N(CCHH)(CNN)(H)	C(NC[3])2(NCH)	N(C[3]C[3]2)(CNN)	N(CCHH)(CNN)(H)	118.7410	2.792	2	118.7410	7.793	2	118.7410	7.793	2	124.8203	52.075	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:3:1:	N-2:O-2:N-3:	C[5a]-3:C-3:	C-4:C-3:H-1:	C(NC[5a])(OC[6a])(NCH)	N(C[5a]C[5a]N[5a])(CNO)	N(CCCH)(CNO)(H)	C(NC[5a])(OC[6a])(NCH)	N(C[5a]C[5a]N[5a])(CNO)	N(CCCH)(CNO)(H)	130.8995	0.777	2	130.8995	0.604	2	130.8995	0.604	2	124.8203	52.075	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:3:3:	N-2:N-2:N-3:	C[5]-3:C-3:	C-4:C-3:C-3:	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	N(CCCH)(CNN)(CSS)	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	N(CCCH)(CNN)(CSS)	119.2980	6.231	2	119.2980	38.826	2	119.7157	31.288	4	119.7157	31.288	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:3:3:	N-2:N-2:N-3:	C[5]-3:C-3:	C-4:C-3:C-3:	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	N(CCHH)(CNN)(COO)	C(NC[5])2(NCC)	N(C[5]N[5]2)(CNN)	N(CCHH)(CNN)(COO)	120.1335	7.372	2	120.1335	54.340	2	119.7157	31.288	4	119.7157	31.288	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:4:3:	N-2:N-2:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	N(CCCH)2(CNN)	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	N(CCCH)2(CNN)	118.7895	2.838	2	118.7895	8.052	2	118.9123	2.704	4	119.2430	2.575	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:4:3:	N-2:N-2:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	N(CC[6a]HH)2(CNN)	C(NC[6a])2(NCC)	N(C[6a]C[6a]2)(CNN)	N(CC[6a]HH)2(CNN)	119.0350	0.028	2	119.0350	0.001	2	118.9123	2.704	4	119.2430	2.575	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:2:3:	3:3:	4:4:3:	N-2:S-2:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(SC[6a])(NCC)	N(C[6a]C[6a]2)(CNS)	N(CH3)2(CNS)	C(NC[6a])(SC[6a])(NCC)	N(C[6a]C[6a]2)(CNS)	N(CH3)2(CNS)	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	119.2430	2.575	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:1:1:	N-2:N-3:O-1:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(O)	N(C[6a]C[6a]2)(CNO)	N(CNO)(H)2	C(NC[6a])(NHH)(O)	N(C[6a]C[6a]2)(CNO)	N(CNO)(H)2	114.1620	0.761	2	114.1620	0.579	2	114.1620	0.579	2	115.7383	7.744	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:1:1:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(H)2	C(NC[6a])(NHH)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(H)2	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	115.7383	7.744	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:2:1:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:N-2:H-1:	C(NC[6a])(NHN)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(NC)(H)	C(NC[6a])(NHN)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(NC)(H)	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:3:1:	N-2:N-3:S-1:	C[5]-3:C-3:	C-3:C-3:H-1:	C(NC[5])(NCH)(S)	N(C[5]O[5]S[5])(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[5])(NCH)(S)	N(C[5]O[5]S[5])(CNS)	N(CC[6a]O)(CNS)(H)	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	114.6756	5.223	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:3:1:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	N(CC[6a]O)(CNS)(H)	115.4768	0.164	4	115.4768	0.027	4	115.3920	0.056	5	114.6756	5.223	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:3:1:	N-2:N-3:S-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(COO)(H)	C(NC[6a])(NCH)(S)	N(C[6a]C[6a]2)(CNS)	N(CNS)(COO)(H)	115.0530	0.000	1	115.0530	0.000	1	115.3920	0.056	5	114.6756	5.223	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	3:3:1:	N-2:N-3:Se-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])(NCH)(Se)	N(C[6a]C[6a]2)(CSeN)	N(CC[6a]O)(CSeN)(H)	C(NC[6a])(NCH)(Se)	N(C[6a]C[6a]2)(CSeN)	N(CC[6a]O)(CSeN)(H)	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	114.6756	5.223	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:3:1:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-3:H-1:	C(NC[5a])(NCH)(H)	N(C[5a]C[5a]N[5a])(CHN)	N(CCHH)(CHN)(H)	C(NC[5a])(NCH)(H)	N(C[5a]C[5a]N[5a])(CHN)	N(CCHH)(CHN)(H)	130.8260	0.573	2	130.8260	0.328	2	130.8260	0.328	2	130.8260	0.328	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:3:3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	N(CH3)(CHN)2	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	N(CH3)(CHN)2	123.2390	0.466	4	123.2390	0.217	4	123.2390	0.217	4	123.2390	0.217	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	N(CCHH)2(CHN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	N(CCHH)2(CHN)	122.9170	0.000	1	122.9170	0.000	1	122.6242	0.901	11	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	N(CH3)2(CHN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	N(CH3)2(CHN)	122.5165	1.589	2	122.5165	2.525	2	122.6242	0.901	11	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]O[5a])(CHN)	N(CH3)2(CHN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]O[5a])(CHN)	N(CH3)2(CHN)	121.5760	0.000	1	121.5760	0.000	1	122.6242	0.901	11	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]S[5a])(CHN)	N(CH3)2(CHN)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]S[5a])(CHN)	N(CH3)2(CHN)	122.9322	1.054	4	122.9322	1.110	4	122.6242	0.901	11	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]2)(CHN)	N(CH3)2(CHN)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]2)(CHN)	N(CH3)2(CHN)	122.6660	0.000	1	122.6660	0.000	1	122.6242	0.901	11	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]S[5a])(CHN)	N(CH3)2(CHN)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]S[5a])(CHN)	N(CH3)2(CHN)	122.4725	1.234	2	122.4725	1.523	2	122.6242	0.901	11	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[6]-3:C-3:	C-4:C-4:C-3:	C(NC[6])(NCC)(H)	N(C[6]C[6]N[6])(CHN)	N(CH3)2(CHN)	C(NC[6])(NCC)(H)	N(C[6]C[6]N[6])(CHN)	N(CH3)2(CHN)	122.0770	0.672	3	122.0770	0.451	3	122.0224	0.323	5	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[6]-3:C-3:	C-4:C-4:C-3:	C(NC[6])(NCC)(H)	N(C[6]C[6]O[6])(CHN)	N(CH3)2(CHN)	C(NC[6])(NCC)(H)	N(C[6]C[6]O[6])(CHN)	N(CH3)2(CHN)	121.9405	0.606	2	121.9405	0.367	2	122.0224	0.323	5	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	N(CH3)2(CHN)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]2)(CHN)	N(CH3)2(CHN)	123.0970	0.384	3	123.0970	0.147	3	122.6720	1.269	10	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]N[6a])(CHN)	N(CH3)2(CHN)	C(NC[6a])(NCC)(H)	N(C[6a]C[6a]N[6a])(CHN)	N(CH3)2(CHN)	123.1410	0.194	2	123.1410	0.038	2	122.6720	1.269	10	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:H-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	N(CH3)2(CHN)	C(NC[6a])(NCC)(H)	N(C[6a]N[6a]2)(CHN)	N(CH3)2(CHN)	122.2294	1.511	5	122.2294	2.283	5	122.6720	1.269	10	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:O-1:	C[6]-3:C-3:	C-4:C-4:C-3:	C(NC[6])(NCC)(O)	N(C[6]C[5,6]C[6])(CNO)	N(CH3)2(CNO)	C(NC[6])(NCC)(O)	N(C[6]C[5,6]C[6])(CNO)	N(CH3)2(CNO)	114.4060	0.581	3	114.4060	0.338	3	114.4060	0.338	3	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(O)	N(C[6a]C[6a]2)(CNO)	N(CCHH)(CC3)(CNO)	C(NC[6a])(NCC)(O)	N(C[6a]C[6a]2)(CNO)	N(CCHH)(CC3)(CNO)	117.8530	0.000	1	117.8530	0.000	1	114.1490	27.439	2	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	3:3:	4:4:3:	N-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(O)	N(C[6a]C[6a]2)(CNO)	N(CC[6a]HH)2(CNO)	C(NC[6a])(NCC)(O)	N(C[6a]C[6a]2)(CNO)	N(CC[6a]HH)2(CNO)	110.4450	0.000	1	110.4450	0.000	1	114.1490	27.439	2	121.2005	11.170	31	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	4:3:	3:3:1:	N-2:N-3:O-1:	C[5]-4:C-3:	C-3:C-3:H-1:	C(NC[5])(NCH)(O)	N(C[5]C[5,6a]C[5]H)(CNO)	N(CCO)(CNO)(H)	C(NC[5])(NCH)(O)	N(C[5]C[5,6a]C[5]H)(CNO)	N(CCO)(CNO)(H)	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:1:	4:3:	4:3:1:	N-2:N-3:S-1:	C[6]-4:C-3:	C-4:C-3:H-1:	C(NC[6])(NCH)(S)	N(C[6]C[6]2H)(CNS)	N(CH3)(CNS)(H)	C(NC[6])(NCH)(S)	N(C[6]C[6]2H)(CNS)	N(CH3)(CNS)(H)	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:1:	3:1:1:	S-2:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(SC[5])(NHH)(NH)	N(CNS)(H)	N(CNS)(H)2	C(SC[5])(NHH)(NH)	N(CNS)(H)	N(CNS)(H)2	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	121.4090	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:1:	3:4:3:	Se-2:N-3:N-2:	C-3:H-1:	C-3:C-4:C-3:	C(SeBr)(NCC)(NH)	N(CSeN)(H)	N(CSeN)(CH3)(CHH)	C(SeBr)(NCC)(NH)	N(CSeN)(H)	N(CSeN)(CH3)(CHH)	122.1000	0.000	1	122.1000	0.000	1	122.1000	0.000	1	122.1000	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:1:	3:4:4:	Se-2:N-3:N-2:	C-3:H-1:	C-3:C-4:C-4:	C(SeBr)(NCC)(NH)	N(CSeN)(H)	N(CSeN)(CH3)2	C(SeBr)(NCC)(NH)	N(CSeN)(H)	N(CSeN)(CH3)2	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:1:1:	N-2:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	N(CNN)2	N(CNN)(H)2	113.8063	6.417	6	113.8063	41.182	6	113.8063	41.182	6	120.2385	39.393	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:1:1:	N-2:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NC[6a])(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	124.4880	0.817	3	124.4880	0.667	3	124.4880	0.667	3	120.2385	39.393	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:1:1:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	121.7645	3.226	6	121.7645	10.405	6	123.1101	10.726	9	120.2385	39.393	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:1:1:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(NN)	N(C[6a]N[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a])(NHH)(NN)	N(C[6a]N[6a]2)(CNN)	N(CNN)(H)2	125.8013	0.770	3	125.8013	0.593	3	123.1101	10.726	9	120.2385	39.393	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	3:4:4:	Se-2:N-3:N-2:	C-3:N-3:	C-3:C-4:C-4:	C(SeSb)(NCC)(NN)	N(CSeN)(NSbC)	N(CSeN)(CH3)2	C(SeSb)(NCC)(NN)	N(CSeN)(NSbC)	N(CSeN)(CH3)2	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:3:3:	N-2:N-3:O-2:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(NC[6a])(NCC)(OMg)	N(C[6a]C[6a]2)(CNO)	N(CCCH)(CCN)(CNO)	C(NC[6a])(NCC)(OMg)	N(C[6a]C[6a]2)(CNO)	N(CCCH)(CCN)(CNO)	114.8775	0.161	2	114.8775	0.026	2	114.8775	0.026	2	114.8775	0.026	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	N-2:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a])(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	N-2:N-3:N-2:	C[5]-3:C-3:	C-4:C-4:C-3:	C(NC[5])(NCC)(NCu)	N(C[5]N[5]2)(CNN)	N(CH3)2(CNN)	C(NC[5])(NCC)(NCu)	N(C[5]N[5]2)(CNN)	N(CH3)2(CNN)	113.2580	0.000	1	113.2580	0.000	1	113.2580	0.000	1	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(NC)	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	C(NC[6a])(NCC)(NC)	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	118.0680	0.000	1	118.0680	0.000	1	118.0680	0.000	1	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	N-2:N-3:S-2:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(STi)	N(C[6a]C[6a]2)(CNS)	N(CH3)2(CNS)	C(NC[6a])(NCC)(STi)	N(C[6a]C[6a]2)(CNS)	N(CH3)2(CNS)	117.7940	0.000	1	117.7940	0.000	1	117.7940	0.000	1	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	Se-2:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(SeFe)(NCC)(NC)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	C(SeFe)(NCC)(NC)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	115.3495	1.099	6	115.3495	1.208	6	115.4518	0.702	10	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	Se-2:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(SePd)(NCC)(NC)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	C(SePd)(NCC)(NC)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	115.6093	0.246	3	115.6093	0.061	3	115.4518	0.702	10	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:2:	3:3:	4:4:3:	Se-2:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(SeRu)(NCC)(NC)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	C(SeRu)(NCC)(NC)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	115.5930	0.000	1	115.5930	0.000	1	115.4518	0.702	10	115.8195	2.096	14	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[5]-3:C-3:	C-3:H-1:H-1:	C(NC[5])(NCoH)(NHH)	N(C[5]N[5]2)(CNN)	N(CNN)(H)2	C(NC[5])(NCoH)(NHH)	N(C[5]N[5]2)(CNN)	N(CNN)(H)2	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	121.4236	19.125	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[5a]-3:C-3:	C-3:H-1:H-1:	C(NC[5a])(NHH)2	N(C[5a]N[5a]2)(CNN)	N(CNN)(H)2	C(NC[5a])(NHH)2	N(C[5a]N[5a]2)(CNN)	N(CNN)(H)2	120.3625	3.216	4	120.3625	10.340	4	121.0578	15.067	13	121.4236	19.125	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[5a]-3:C-3:	C-3:H-1:H-1:	C(NC[5a])(NHH)2	N(C[5a]N[5a]O[5a])(CNN)	N(CNN)(H)2	C(NC[5a])(NHH)2	N(C[5a]N[5a]O[5a])(CNN)	N(CNN)(H)2	120.4305	6.983	2	120.4305	48.758	2	121.0578	15.067	13	121.4236	19.125	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[5a]-3:C-3:	C-3:H-1:H-1:	C(NC[5a])(NHH)2	N(C[5a]N[5a]S[5a])(CNN)	N(CNN)(H)2	C(NC[5a])(NHH)2	N(C[5a]N[5a]S[5a])(CNN)	N(CNN)(H)2	121.6343	4.000	7	121.6343	15.997	7	121.0578	15.067	13	121.4236	19.125	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a])(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	126.4600	1.088	3	126.4600	1.184	3	124.4802	16.467	4	121.4236	19.125	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)2	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a])(NHH)2	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	118.5410	0.000	1	118.5410	0.000	1	124.4802	16.467	4	121.4236	19.125	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:3:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCO)(CNN)(H)	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCO)(CNN)(H)	122.7440	0.000	1	122.7440	0.000	1	120.3578	10.046	4	120.3578	10.046	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:3:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)	N(CNN)2(H)	C(NC[6a])(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)	N(CNN)2(H)	119.5623	3.357	3	119.5623	11.272	3	120.3578	10.046	4	120.3578	10.046	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	3:4:3:	N-2:N-3:N-3:	C[6a]-3:C-3:	P-3:C-4:C-3:	C(NC[6a])(NCH)(NCP)	N(C[6a]C[6a]2)(CNN)	N(PC[6a]2)(CCCH)(CNN)	C(NC[6a])(NCH)(NCP)	N(C[6a]C[6a]2)(CNN)	N(PC[6a]2)(CCCH)(CNN)	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:3:1:	N-2:C-3:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CCHH)(CCN)(H)	C(NC[6a])(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CCHH)(CCN)(H)	119.8165	0.254	2	119.8165	0.064	2	119.8165	0.064	2	122.2290	12.905	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:3:1:	N-2:N-3:N-3:	C[6]-3:C-3:	C-4:C-3:H-1:	C(NC[6])(NCH)2	N(C[6]C[6]N[6])(CNN)	N(CCCH)(CNN)(H)	C(NC[6])(NCH)2	N(C[6]C[6]N[6])(CNN)	N(CCCH)(CNN)(H)	121.7215	5.322	2	121.7215	28.328	2	121.7215	28.328	2	122.2290	12.905	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:3:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCHH)(CNN)(H)	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCHH)(CNN)(H)	120.1790	0.000	1	120.1790	0.000	1	122.6461	13.569	14	122.2290	12.905	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:3:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(NCH)(NCP)	N(C[6a]C[6a]2)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)(NCP)	N(C[6a]C[6a]2)(CNN)	N(CCCH)(CNN)(H)	125.6890	0.000	1	125.6890	0.000	1	122.6461	13.569	14	122.2290	12.905	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:3:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	N(CCCH)(CNN)(H)	122.5982	3.826	12	122.5982	14.638	12	122.6461	13.569	14	122.2290	12.905	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:3:3:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCHH)(CCN)(CNN)	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCHH)(CCN)(CNN)	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:4:3:	N-2:C-3:N-3:	C[6a]-3:C-3:	S-4:C-4:C-3:	C(NC[6a])(CCO)(NCS)	N(C[6a]C[6a]2)(CCN)	N(SCOO)(CH3)(CCN)	C(NC[6a])(CCO)(NCS)	N(C[6a]C[6a]2)(CCN)	N(SCOO)(CH3)(CCN)	116.3680	0.000	1	116.3680	0.000	1	116.3680	0.000	1	122.1849	15.623	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:4:3:	N-2:N-3:N-3:	C[5]-3:C-3:	C-4:C-4:C-3:	C(NC[5])(NNiH)(NCC)	N(C[5]N[5]2)(CNN)	N(CH3)2(CNN)	C(NC[5])(NNiH)(NCC)	N(C[5]N[5]2)(CNN)	N(CH3)2(CNN)	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	122.1849	15.623	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:4:3:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCHH)2(CNN)	C(NC[6a])(NCC)(NCH)	N(C[6a]C[6a]2)(CNN)	N(CCHH)2(CNN)	122.0030	0.000	1	122.0030	0.000	1	122.5776	13.284	37	122.1849	15.623	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:4:3:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	122.5018	3.711	33	122.5018	13.771	33	122.5776	13.284	37	122.1849	15.623	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:	4:4:3:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)2	N(C[6a]C[6a]N[6a])(CNN)	N(CH3)2(CNN)	C(NC[6a])(NCC)2	N(C[6a]C[6a]N[6a])(CNN)	N(CH3)2(CNN)	123.6023	4.116	3	123.6023	16.938	3	122.5776	13.284	37	122.1849	15.623	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:	4:3:1:	N-2:N-3:N-3:	C[5]-4:C-3:	C-4:C-3:H-1:	C(NC[5])(NCH)2	N(C[5]C[5]2Fe)(CNN)	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	N(C[5]C[5]2Fe)(CNN)	N(CCCH)(CNN)(H)	120.0660	3.591	3	120.0660	12.895	3	120.0660	12.895	3	120.0660	12.895	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:	4:4:3:	N-2:N-3:N-3:	C[5]-4:C-3:	C-4:C-4:C-3:	C(NC[5])(NCC)2	N(C[5]C[5]2Fe)(CNN)	N(CH3)2(CNN)	C(NC[5])(NCC)2	N(C[5]C[5]2Fe)(CNN)	N(CH3)2(CNN)	123.4700	4.320	5	123.4700	18.659	5	123.4700	18.659	5	122.1575	13.298	13	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:	4:4:3:	N-2:N-3:N-3:	P[6]-4:C-3:	C-4:C-4:C-3:	C(NP[6])(NCC)2	N(P[6]N[6]2N)(CNN)	N(CH3)2(CNN)	C(NP[6])(NCC)2	N(P[6]N[6]2N)(CNN)	N(CH3)2(CNN)	121.3372	3.184	8	121.3372	10.136	8	121.3372	10.136	8	122.1575	13.298	13	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	3:1:1:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(CH3)(NHH)	N(C[6a]C[6a]2)(CCN)	N(CCN)(H)2	C(NC[6a])(CH3)(NHH)	N(C[6a]C[6a]2)(CCN)	N(CCN)(H)2	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	128.5365	14.607	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	3:1:1:	N-2:C-4:N-3:	N[5a]-3:C-3:	C-3:H-1:H-1:	C(NN[5a])(CClNN)(NHH)	N(N[5a]C[5a]N[5a])(CCN)	N(CCN)(H)2	C(NN[5a])(CClNN)(NHH)	N(N[5a]C[5a]N[5a])(CCN)	N(CCN)(H)2	131.2390	0.000	1	131.2390	0.000	1	131.2390	0.000	1	128.5365	14.607	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:3:1:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC[5a]HH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC[5a]HH)(CCN)(H)	128.1600	0.000	1	128.1600	0.000	1	125.2807	32.155	6	125.2807	32.155	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:3:1:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC[6a]CH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC[6a]CH)(CCN)(H)	121.5935	9.241	2	121.5935	85.399	2	125.2807	32.155	6	125.2807	32.155	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:3:1:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]N[6a])(CCN)	N(CCHH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	N(C[6a]C[6a]N[6a])(CCN)	N(CCHH)(CCN)(H)	129.1245	0.387	2	129.1245	0.150	2	125.2807	32.155	6	125.2807	32.155	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:3:1:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(CZrNN)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC3)(CCN)(H)	C(NC[6a])(CZrNN)(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC3)(CCN)(H)	122.0880	0.000	1	122.0880	0.000	1	125.2807	32.155	6	125.2807	32.155	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:3:3:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(NC[6a])(CH3)(NCC)	N(C[6a]C[6a]2)(CCN)	N(CCHH)(CCN)(CNN)	C(NC[6a])(CH3)(NCC)	N(C[6a]C[6a]2)(CCN)	N(CCHH)(CCN)(CNN)	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:4:3:	N-2:C-4:N-3:	C[5a]-3:C-3:	C-4:C-4:C-3:	C(NC[5a])(CH3)(NCC)	N(C[5a]N[5a]S[5a])(CCN)	N(CH3)2(CCN)	C(NC[5a])(CH3)(NCC)	N(C[5a]N[5a]S[5a])(CCN)	N(CH3)2(CCN)	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	117.4575	0.604	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	3:3:	4:4:3:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(CSiHH)(NCC)	N(C[6a]C[6a]2)(CCN)	N(CCHH)2(CCN)	C(NC[6a])(CSiHH)(NCC)	N(C[6a]C[6a]2)(CCN)	N(CCHH)2(CCN)	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	117.4575	0.604	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	2:4:3:	4:3:	4:4:3:	N-2:C-4:N-3:	C[6]-4:C-3:	C-4:C-4:C-3:	C(NC[6])(CH3)(NCC)	N(C[6]C[6]O[6]H)(CCN)	N(CCHH)2(CCN)	C(NC[6])(CH3)(NCC)	N(C[6]C[6]O[6]H)(CCN)	N(CCHH)2(CCN)	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	2:3:	3:1:1:	N-3:N-2:O-1:	N-2:C-3:	C-3:H-1:H-1:	C(NHH)(NN)(O)	N(NC[5])(CNO)	N(CNO)(H)2	C(NHH)(NN)(O)	N(NC[5])(CNO)	N(CNO)(H)2	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	111.4025	28.509	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	2:3:	3:1:1:	N-3:N-2:S-1:	N-2:C-3:	C-3:H-1:H-1:	C(NHH)(NN)(S)	N(NC[5])(CNS)	N(CNS)(H)2	C(NHH)(NN)(S)	N(NC[5])(CNS)	N(CNS)(H)2	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	111.4025	28.509	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	2:3:	3:3:1:	N-3:N-2:S-1:	N-2:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN)(S)	N(NC[5])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN)(S)	N(NC[5])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	112.8610	0.000	1	112.8610	0.000	1	112.8610	0.000	1	112.8610	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	2:3:1:	N-3:N-2:O-1:	C-3:H-1:	N-2:C-3:H-1:	C(NHN)(NH)(O)	N(CNO)(H)	N(NC[6])(CNO)(H)	C(NHN)(NH)(O)	N(CNO)(H)	N(NC[6])(CNO)(H)	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:1:1:	N-3:N-2:N-1:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)(N)	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NH)(N)	N(CNN)(H)	N(CNN)(H)2	120.3445	0.622	2	120.3445	0.386	2	120.3445	0.386	2	119.7863	1.128	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:1:1:	N-3:N-2:O-1:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)(O)	N(CNO)(H)	N(CNO)(H)2	C(NHH)(NH)(O)	N(CNO)(H)	N(CNO)(H)2	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	119.7863	1.128	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:2:1:	N-3:N-2:O-1:	C-3:H-1:	C-3:N-2:H-1:	C(NHN)(NH)(O)	N(CNO)(H)	N(CNO)(NC)(H)	C(NHN)(NH)(O)	N(CNO)(H)	N(CNO)(NC)(H)	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	117.5035	0.534	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:2:1:	N-3:N-2:S-1:	C-3:H-1:	C-3:N-2:H-1:	C(NHN)(NH)(S)	N(CNS)(H)	N(CNS)(NC)(H)	C(NHN)(NH)(S)	N(CNS)(H)	N(CNS)(NC)(H)	117.7770	0.163	2	117.7770	0.026	2	117.7770	0.026	2	117.5035	0.534	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:2:1:	N-3:N-2:Se-1:	C-3:H-1:	C-3:N-2:H-1:	C(NHN)(NH)(Se)	N(CSeN)(H)	N(CSeN)(NC)(H)	C(NHN)(NH)(Se)	N(CSeN)(H)	N(CSeN)(NC)(H)	118.0290	0.000	1	118.0290	0.000	1	118.0290	0.000	1	117.5035	0.534	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:3:1:	N-3:N-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NH)(O)	N(CNO)(H)	N(CNN)(CNO)(H)	C(NCH)(NH)(O)	N(CNO)(H)	N(CNN)(CNO)(H)	114.4840	0.000	1	114.4840	0.000	1	116.4505	7.734	2	115.3280	6.977	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:3:1:	N-3:N-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NH)(O)	N(CNO)(H)	N(CNO)(COS)(H)	C(NCH)(NH)(O)	N(CNO)(H)	N(CNO)(COS)(H)	118.4170	0.000	1	118.4170	0.000	1	116.4505	7.734	2	115.3280	6.977	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:3:1:	N-3:N-2:O-1:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NH)(O)	N(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NH)(O)	N(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	115.3280	6.977	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:3:1:	N-3:N-2:S-1:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NH)(S)	N(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NCH)(NH)(S)	N(CNS)(H)	N(CC[6a]O)(CNS)(H)	118.3160	0.000	1	118.3160	0.000	1	114.4633	11.134	3	115.3280	6.977	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:3:1:	N-3:N-2:S-1:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NH)(S)	N(CNS)(H)	N(CNN)(CNS)(H)	C(NCH)(NH)(S)	N(CNS)(H)	N(CNN)(CNS)(H)	112.5370	0.061	2	112.5370	0.004	2	114.4633	11.134	3	115.3280	6.977	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	3:3:3:	N-3:N-2:O-1:	C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NH)(O)	N(CNO)(H)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NH)(O)	N(CNO)(H)	N(C[6a]C[6a]2)2(CNO)	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:1:	4:3:1:	N-3:N-2:O-1:	C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NH)(O)	N(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)(NH)(O)	N(CNO)(H)	N(CCHH)(CNO)(H)	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:1:1:	N-3:N-2:S-1:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NN)(S)	N(CNS)(NC)	N(CNS)(H)2	C(NHH)(NN)(S)	N(CNS)(NC)	N(CNS)(H)2	117.6968	0.492	4	117.6968	0.242	4	117.6968	0.242	4	117.6968	0.242	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:2:1:	N-3:N-2:O-1:	C-3:N-2:	C-3:N-2:H-1:	C(NHN)(NN)(O)	N(CNO)(NC)	N(CNO)(NC)(H)	C(NHN)(NN)(O)	N(CNO)(NC)	N(CNO)(NC)(H)	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:3:1:	N-3:N-2:H-1:	C-3:N-2:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NN)(H)	N(CHN)(NC)	N(C[5a]C[5a]N[5a])(CHN)(H)	C(NC[5a]H)(NN)(H)	N(CHN)(NC)	N(C[5a]C[5a]N[5a])(CHN)(H)	124.9970	0.000	1	124.9970	0.000	1	124.9970	0.000	1	119.9027	59.345	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:3:1:	N-3:N-2:H-1:	C-3:O-2:	C-3:C-3:H-1:	C(NCH)(NO)(H)	N(CHN)(OC)	N(CCO)(CHN)(H)	C(NCH)(NO)(H)	N(CHN)(OC)	N(CCO)(CHN)(H)	118.4060	0.000	1	118.4060	0.000	1	124.4223	11.342	13	119.9027	59.345	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:3:1:	N-3:N-2:H-1:	C-3:O-2:	C-3:C-3:H-1:	C(NCH)(NO)(H)	N(CHN)(OC)	N(CC[6a]O)(CHN)(H)	C(NCH)(NO)(H)	N(CHN)(OC)	N(CC[6a]O)(CHN)(H)	124.9237	2.968	12	124.9237	8.808	12	124.4223	11.342	13	119.9027	59.345	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:3:1:	N-3:N-2:O-1:	C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(O)	N(CNO)(CN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC)(O)	N(CNO)(CN)	N(C[6a]C[6a]2)(CNO)(H)	111.6035	0.473	2	111.6035	0.224	2	111.6035	0.224	2	119.9027	59.345	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:3:1:	N-3:N-2:O-1:	C-3:N-2:	C-3:N-3:H-1:	C(NHN)(NN)(O)	N(CNO)(NN)	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	N(CNO)(NN)	N(CNO)(NOO)(H)	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	119.9027	59.345	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	3:3:1:	N-3:N-2:O-1:	C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN)(O)	N(CNO)(NN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN)(O)	N(CNO)(NN)	N(C[6a]C[6a]2)(CNO)(H)	108.5437	0.831	3	108.5437	0.691	3	108.5437	0.691	3	119.9027	59.345	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:O-1:	C-3:N-2:	C-4:C-3:H-1:	C(NCH)(NN)(O)	N(CNO)(NC)	N(CCHH)(CNO)(H)	C(NCH)(NN)(O)	N(CNO)(NC)	N(CCHH)(CNO)(H)	114.9180	0.000	1	114.9180	0.000	1	112.6740	10.071	2	113.7246	10.974	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:O-1:	C-3:N-2:	C-4:C-3:H-1:	C(NCH)(NN)(O)	N(CNO)(NN)	N(CCHH)(CNO)(H)	C(NCH)(NN)(O)	N(CNO)(NN)	N(CCHH)(CNO)(H)	110.4300	0.000	1	110.4300	0.000	1	112.6740	10.071	2	113.7246	10.974	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:O-1:	C-3:N-2:	C[4,5]-4:C-3:H-1:	C(NC[4,5]H)(NN)(O)	N(CNO)(NN)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	C(NC[4,5]H)(NN)(O)	N(CNO)(NN)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	113.7246	10.974	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:S-1:	C-3:N-2:	C-4:C-3:H-1:	C(NCH)(NN)(S)	N(CNS)(NC)	N(CCHH)(CNS)(H)	C(NCH)(NN)(S)	N(CNS)(NC)	N(CCHH)(CNS)(H)	117.0240	0.000	1	117.0240	0.000	1	116.6565	0.270	2	113.7246	10.974	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:3:1:	N-3:N-2:S-1:	C-3:N-2:	C-4:C-3:H-1:	C(NCH)(NN)(S)	N(CNS)(NC)	N(CH3)(CNS)(H)	C(NCH)(NN)(S)	N(CNS)(NC)	N(CH3)(CNS)(H)	116.2890	0.000	1	116.2890	0.000	1	116.6565	0.270	2	113.7246	10.974	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:4:3:	N-3:N-2:H-1:	C-3:N-2:	C-4:C-4:C-3:	C(NCC)(NN)(H)	N(CHN)(NC)	N(CH3)2(CHN)	C(NCC)(NN)(H)	N(CHN)(NC)	N(CH3)2(CHN)	122.4880	0.530	2	122.4880	0.281	2	122.4880	0.281	2	119.3273	30.110	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:2:	4:4:3:	N-3:N-2:O-1:	C-3:N-2:	C-4:C-4:C-3:	C(NCC)(NN)(O)	N(CNO)(NC)	N(CCHH)(CH3)(CNO)	C(NCC)(NN)(O)	N(CNO)(NC)	N(CCHH)(CH3)(CNO)	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	119.3273	30.110	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:1:1:	N-3:N-2:O-1:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(O)	N(CCO)(CNO)	N(CNO)(H)2	C(NHH)(NC)(O)	N(CCO)(CNO)	N(CNO)(H)2	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	113.5358	0.813	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:1:1:	N-3:N-2:S-1:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(S)	N(CNN)(CNS)	N(CNS)(H)2	C(NHH)(NC)(S)	N(CNN)(CNS)	N(CNS)(H)2	113.0410	0.558	3	113.0410	0.312	3	113.0410	0.312	3	113.5358	0.813	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:1:1:	N-3:N-2:S-1:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)(NN)(S)	N(CNS)(NCH)	N(CNS)(H)2	C(NHH)(NN)(S)	N(CNS)(NCH)	N(CNS)(H)2	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	113.5358	0.813	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:H-1:	C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN)(H)	N(CHN)(NCC)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NN)(H)	N(CHN)(NCC)	N(C[6a]C[6a]2)(CHN)(H)	130.4395	0.465	2	130.4395	0.216	2	130.4395	0.216	2	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)(H)	122.8681	1.356	14	122.8681	1.838	14	122.8260	1.433	18	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)	N(C[6a]C[6a]N[6a])(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)	N(C[6a]C[6a]N[6a])(CHN)(H)	122.6788	0.341	4	122.6788	0.116	4	122.8260	1.433	18	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)(O)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)(O)	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NC)(O)	N(CCN)(CNO)	N(CCH)(CNO)(H)	C(NCH)(NC)(O)	N(CCN)(CNO)	N(CCH)(CNO)(H)	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C-3:N-3:	C-3:N-3:H-1:	C(NHN)(NN)(O)	N(CNO)(NOO)	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	N(CNO)(NOO)	N(CNO)(NOO)(H)	104.0900	0.000	1	104.0900	0.000	1	104.0900	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[5]-3:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	N(C[6]C[6]2)(CNO)(H)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(O)	N(C[5]C[5]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(O)	N(C[5]C[5]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	111.1225	0.220	2	111.1225	0.048	2	110.3448	2.023	10	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(O)	N(C[5]N[5]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	110.1504	1.542	8	110.1504	2.378	8	110.3448	2.023	10	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5a])(O)	N(C[5a]N[5a]S[5a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5a])(O)	N(C[5a]N[5a]S[5a])(CNO)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6]-3:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NC[6])(O)	N(C[6]C[6]2)(CNO)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6])(O)	N(C[6]C[6]2)(CNO)	N(C[6]C[6]2)(CNO)(H)	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6])(O)	N(C[6]N[6]2)(CNO)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6])(O)	N(C[6]N[6]2)(CNO)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2)(CNO)(H)	112.4860	1.078	2	112.4860	1.161	2	112.4860	1.161	2	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CNO)(H)	113.3940	0.000	1	113.3940	0.000	1	112.9714	3.095	8	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CNO)(H)	113.1630	0.000	1	113.1630	0.000	1	112.9714	3.095	8	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	112.1638	1.272	5	112.1638	1.617	5	112.9714	3.095	8	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]N[6a])(CNO)(H)	116.3950	0.000	1	116.3950	0.000	1	112.9714	3.095	8	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	115.1850	0.000	1	115.1850	0.000	1	115.8708	1.223	5	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(S)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	115.4507	0.228	3	115.4507	0.052	3	115.8708	1.223	5	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(S)	N(CNN)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(S)	N(CNN)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	117.8170	0.000	1	117.8170	0.000	1	115.8708	1.223	5	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(S)	N(C[5]N[5]S[5])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5])(S)	N(C[5]N[5]S[5])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	114.8656	2.282	5	114.8656	5.209	5	114.8656	5.209	5	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5a])(S)	N(C[5a]N[5a]S[5a])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5a])(S)	N(C[5a]N[5a]S[5a])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	117.4730	0.037	2	117.4730	0.001	2	117.4730	0.001	2	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:1:	N-3:N-2:S-1:	N[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN[5])(S)	N(N[5]In[5]C[5])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN[5])(S)	N(N[5]In[5]C[5])(CNS)	N(C[6a]C[6a]2)(CNS)(H)	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	116.7966	34.135	61	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:2:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)(OH)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CHN)(OH)	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:H-1:	C[6a]-3:C-3:	B[6,6]-3:C[6a]-3:C-3:	C(NB[6,6]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	C(NB[6,6]C[6a])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(NC[6a]C[5])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	C(NC[6a]C[5])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	124.1860	2.444	2	124.1860	5.972	2	124.1860	5.972	2	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)2(CHN)	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)2(CHN)	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6a]-3:P[4]-3:C-3:	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	122.7560	0.000	1	122.7560	0.000	1	122.7560	0.000	1	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:O-1:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC)(O)	N(CC[6a]2)(CNO)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC)(O)	N(CC[6a]2)(CNO)	N(C[6a]C[6a]2)2(CNO)	114.2770	0.000	1	114.2770	0.000	1	114.3607	2.894	4	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:O-1:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC)(O)	N(CC[6a]N)(CNO)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC)(O)	N(CC[6a]N)(CNO)	N(C[6a]C[6a]2)2(CNO)	115.5725	0.513	2	115.5725	0.263	2	114.3607	2.894	4	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:O-1:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC)(O)	N(CNN)(CNO)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC)(O)	N(CNN)(CNO)	N(C[6a]C[6a]2)2(CNO)	112.0210	0.000	1	112.0210	0.000	1	114.3607	2.894	4	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:O-1:	C[6a]-3:C-3:	B[5a]-3:C[6a]-3:C-3:	C(NB[5a]C[6a])(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	C(NB[5a]C[6a])(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:3:3:	N-3:N-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)2	C(NC[6a]C)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)2	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	118.1395	27.753	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	3:4:3:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6]-3:C-4:C-3:	C(NC[6]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6]C[6]N[6])(CCHH)(CHN)	C(NC[6]C)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6]C[6]N[6])(CCHH)(CHN)	120.3740	0.000	1	120.3740	0.000	1	120.3740	0.000	1	120.3740	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:3:1:	N-3:N-2:H-1:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6]C[6]2H)(CHN)(H)	C(NC[6]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)	N(C[6]C[6]2H)(CHN)(H)	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	115.4895	112.605	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:3:1:	N-3:N-2:O-1:	C-3:N-3:	N-4:C-3:H-1:	C(NHN)(NN)(O)	N(CNO)(NOO)	N(NH3)(CNO)(H)	C(NHN)(NN)(O)	N(CNO)(NOO)	N(NH3)(CNO)(H)	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	115.4895	112.605	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:H-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(H)	N(CCC)(CHN)	N(CH3)2(CHN)	C(NCC)(NC)(H)	N(CCC)(CHN)	N(CH3)2(CHN)	123.8060	0.413	2	123.8060	0.171	2	123.3410	0.349	4	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:H-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(H)	N(CC[6a]N)(CHN)	N(CH3)2(CHN)	C(NCC)(NC)(H)	N(CC[6a]N)(CHN)	N(CH3)2(CHN)	122.8760	0.105	2	122.8760	0.011	2	123.3410	0.349	4	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:O-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(O)	N(CC[6a]N)(CNO)	N(CH3)2(CNO)	C(NCC)(NC)(O)	N(CC[6a]N)(CNO)	N(CH3)2(CNO)	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:S-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(S)	N(CCO)(CNS)	N(CCHH)2(CNS)	C(NCC)(NC)(S)	N(CCO)(CNS)	N(CCHH)2(CNS)	117.8580	0.000	1	117.8580	0.000	1	114.7284	2.810	9	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:S-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(S)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	C(NCC)(NC)(S)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	113.9891	0.883	7	113.9891	0.779	7	114.7284	2.810	9	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:S-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(S)	N(CNS)(COO)	N(CCHH)2(CNS)	C(NCC)(NC)(S)	N(CNS)(COO)	N(CCHH)2(CNS)	116.7740	0.000	1	116.7740	0.000	1	114.7284	2.810	9	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	3:3:	4:4:3:	N-3:N-2:Se-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(Se)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	C(NCC)(NC)(Se)	N(CC[6a]O)(CSeN)	N(CCHH)2(CSeN)	116.2180	0.000	2	116.2180	0.000	2	116.2180	0.000	2	116.9891	16.299	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:1:1:	N-3:N-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(O)	N(CCHH)(CNO)	N(CNO)(H)2	C(NHH)(NC)(O)	N(CCHH)(CNO)	N(CNO)(H)2	117.5735	0.148	2	117.5735	0.022	2	117.5735	0.022	2	117.5735	0.022	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:2:1:	N-3:N-2:S-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(NC)(S)	N(CCHH)(CNS)	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CCHH)(CNS)	N(CNS)(NC)(H)	116.2103	0.552	3	116.2103	0.305	3	116.0712	0.281	4	116.0712	0.281	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:2:1:	N-3:N-2:S-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(NC)(S)	N(CH3)(CNS)	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CH3)(CNS)	N(CNS)(NC)(H)	115.6540	0.000	1	115.6540	0.000	1	116.0712	0.281	4	116.0712	0.281	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(O)	N(CCHH)(CNO)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC)(O)	N(CCHH)(CNO)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	112.7480	0.000	1	112.7480	0.000	1	112.6440	0.992	4	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(O)	N(CCHH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC)(O)	N(CCHH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	112.5700	1.718	2	112.5700	2.952	2	112.6440	0.992	4	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(O)	N(CC[6a]CC)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC)(O)	N(CC[6a]CC)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	112.6880	0.000	1	112.6880	0.000	1	112.6440	0.992	4	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	C[4]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[4])(O)	N(C[4]C[4]2C)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[4])(O)	N(C[4]C[4]2C)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	S-4:C-3:	C-3:C-3:H-1:	C(NCH)(NS)(O)	N(SC[6a]OO)(CNO)	N(CCN)(CNO)(H)	C(NCH)(NS)(O)	N(SC[6a]OO)(CNO)	N(CCN)(CNO)(H)	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	S-4:C-3:	C-3:N-3:H-1:	C(NHN)(NS)(O)	N(SC[6a]OO)(CNO)	N(CNO)(NCC)(H)	C(NHN)(NS)(O)	N(SC[6a]OO)(CNO)	N(CNO)(NCC)(H)	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:O-1:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NS)(O)	N(SC[6a]OO)(CNO)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NS)(O)	N(SC[6a]OO)(CNO)	N(C[6a]N[6a]2)(CNO)(H)	115.7220	0.713	2	115.7220	0.508	2	115.7220	0.508	2	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:S-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(S)	N(CCHH)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(S)	N(CCHH)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	110.8430	0.000	1	110.8430	0.000	1	114.5805	27.938	2	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:3:1:	N-3:N-2:S-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(S)	N(CH3)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(S)	N(CH3)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	118.3180	0.000	1	118.3180	0.000	1	114.5805	27.938	2	113.5880	6.091	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:4:3:	N-3:N-2:H-1:	C-4:C-3:	B[5]-3:C-4:C-3:	C(NB[5]C)(NC)(H)	N(CC3)(CHN)	N(B[5]O[5]2)(CC3)(CHN)	C(NB[5]C)(NC)(H)	N(CC3)(CHN)	N(B[5]O[5]2)(CC3)(CHN)	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	119.1803	28.119	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:4:3:	N-3:N-2:H-1:	S-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NS)(H)	N(SC[6a]OO)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)(NS)(H)	N(SC[6a]OO)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	119.1803	28.119	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	3:4:3:	N-3:N-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC)(O)	N(CH3)(CNO)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C(NC[6a]C)(NC)(O)	N(CH3)(CNO)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	114.6550	0.786	2	114.6550	0.618	2	114.6550	0.618	2	119.1803	28.119	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(H)	N(CCCH)(CHN)	N(CCCH)(CHN)(H)	C(NCH)(NC)(H)	N(CCCH)(CHN)	N(CCCH)(CHN)(H)	125.6600	0.000	1	125.6600	0.000	1	125.6600	0.000	1	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:H-1:	C[5]-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(NC[5])(H)	N(C[5]C[5]2Fe)(CHN)	N(C[5]C[5]2Fe)(CHN)(H)	C(NC[5]H)(NC[5])(H)	N(C[5]C[5]2Fe)(CHN)	N(C[5]C[5]2Fe)(CHN)(H)	124.4250	0.158	4	124.4250	0.025	4	124.4250	0.025	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	N(CCCH)(CNO)	N(CCHH)(CNO)(H)	C(NCH)(NC)(O)	N(CCCH)(CNO)	N(CCHH)(CNO)(H)	114.7090	0.000	1	114.7090	0.000	1	115.0498	0.526	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	N(CCHH)(CNO)	N(CCCH)(CNO)(H)	C(NCH)(NC)(O)	N(CCHH)(CNO)	N(CCCH)(CNO)(H)	115.2840	0.000	1	115.2840	0.000	1	115.0498	0.526	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	N(CC[6a]HH)(CNO)	N(CC[6a]HH)(CNO)(H)	C(NCH)(NC)(O)	N(CC[6a]HH)(CNO)	N(CC[6a]HH)(CNO)(H)	115.9400	0.000	1	115.9400	0.000	1	115.0498	0.526	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	N(CH3)(CNO)	N(CCHH)(CNO)(H)	C(NCH)(NC)(O)	N(CH3)(CNO)	N(CCHH)(CNO)(H)	114.2660	0.000	1	114.2660	0.000	1	115.0498	0.526	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	S-4:C-3:	C-4:C-3:H-1:	C(NCH)(NS)(O)	N(SC[6]OO)(CNO)	N(CCCH)(CNO)(H)	C(NCH)(NS)(O)	N(SC[6]OO)(CNO)	N(CCCH)(CNO)(H)	112.1325	0.863	2	112.1325	0.745	2	114.9375	20.695	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	S-4:C-3:	C-4:C-3:H-1:	C(NCH)(NS)(O)	N(SC[6a]OO)(CNO)	N(CCHH)(CNO)(H)	C(NCH)(NS)(O)	N(SC[6a]OO)(CNO)	N(CCHH)(CNO)(H)	117.7425	5.465	2	117.7425	29.869	2	114.9375	20.695	4	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:O-1:	S-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NS)(O)	N(SC[6a]OO)(CNO)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NS)(O)	N(SC[6a]OO)(CNO)	N(C[6]C[6]2H)(CNO)(H)	113.9487	0.302	3	113.9487	0.091	3	113.9487	0.091	3	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:S-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(S)	N(CCHH)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(NC)(S)	N(CCHH)(CNS)	N(CCHH)(CNS)(H)	117.3440	0.000	1	117.3440	0.000	1	116.2210	2.522	2	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:S-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)	N(CC[6]HH)(CNS)(H)	C(NCH)(NC)(S)	N(CC[6]HH)(CNS)	N(CC[6]HH)(CNS)(H)	115.0980	0.000	1	115.0980	0.000	1	116.2210	2.522	2	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:3:1:	N-3:N-2:S-1:	P-4:C-3:	C-4:C-3:H-1:	C(NCH)(NP)(S)	N(POOS)(CNS)	N(CH3)(CNS)(H)	C(NCH)(NP)(S)	N(POOS)(CNS)	N(CH3)(CNS)(H)	117.3160	0.000	1	117.3160	0.000	1	117.3160	0.000	1	117.6270	23.109	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:4:3:	N-3:N-2:H-1:	S-4:C-3:	C-4:C-4:C-3:	C(NCC)(NS)(H)	N(SC[6a]OO)(CHN)	N(CH3)2(CHN)	C(NCC)(NS)(H)	N(SC[6a]OO)(CHN)	N(CH3)2(CHN)	123.2605	0.510	2	123.2605	0.260	2	123.2605	0.260	2	118.8750	21.244	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:4:3:	N-3:N-2:O-1:	C-4:C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(NC)(O)	N(CH3)(CNO)	N(C[5]C[5]2H)(CH3)(CNO)	C(NC[5]C)(NC)(O)	N(CH3)(CNO)	N(C[5]C[5]2H)(CH3)(CNO)	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	118.8750	21.244	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:4:3:	N-3:N-2:O-1:	S-4:C-3:	S-4:C-4:C-3:	C(NCS)(NS)(O)	N(SC[6a]2O)(CNO)	N(SC[6a]OO)(CH3)(CNO)	C(NCS)(NS)(O)	N(SC[6a]2O)(CNO)	N(SC[6a]OO)(CH3)(CNO)	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	118.8750	21.244	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:1:	4:3:	4:4:3:	N-3:N-2:S-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(NC)(S)	N(CC[6a]HH)(CNS)	N(CC[6a]HH)(CC[5]HH)(CNS)	C(NCC)(NC)(S)	N(CC[6a]HH)(CNS)	N(CC[6a]HH)(CC[5]HH)(CNS)	115.9280	0.000	1	115.9280	0.000	1	115.9280	0.000	1	118.8750	21.244	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	2:3:	3:1:1:	N-3:N-2:N-2:	N-2:C-3:	C-3:O-1:O-1:	C(NOO)(NN)2	N(NC[6a])(CNN)	N(CNN)(O)2	C(NOO)(NN)2	N(NC[6a])(CNN)	N(CNN)(O)2	112.8662	0.210	4	112.8662	0.044	4	112.8662	0.044	4	112.8662	0.044	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	2:3:	4:3:1:	N-3:N-2:S-2:	N-2:C-3:	C-4:C-3:H-1:	C(NCH)(NN)(SS)	N(NC[5])(CNS)	N(CCHH)(CNS)(H)	C(NCH)(NN)(SS)	N(NC[5])(CNS)	N(CCHH)(CNS)(H)	121.2950	1.434	2	121.2950	2.056	2	121.2950	2.056	2	121.2950	2.056	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NC)(NH)	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NC)(NH)	N(CNN)(H)	N(CNN)(H)2	119.1068	2.727	4	119.1068	7.435	4	120.0617	2.973	26	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)(NN)	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NH)(NN)	N(CNN)(H)	N(CNN)(H)2	123.6120	1.437	2	123.6120	2.065	2	120.0617	2.973	26	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)2	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NH)2	N(CNN)(H)	N(CNN)(H)2	119.8976	1.040	20	119.8976	1.082	20	120.0617	2.973	26	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:N-2:S-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)(SC)	N(CNS)(H)	N(CNS)(H)2	C(NHH)(NH)(SC)	N(CNS)(H)	N(CNS)(H)2	120.6400	1.718	2	120.6400	2.952	2	120.6400	2.952	2	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:S-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(SCd)(NH)	N(CNS)(H)	N(CNS)(H)2	C(NHH)(SCd)(NH)	N(CNS)(H)	N(CNS)(H)2	117.7370	0.000	1	117.7370	0.000	1	119.0623	0.553	8	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:S-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(SCu)(NH)	N(CNS)(H)	N(CNS)(H)2	C(NHH)(SCu)(NH)	N(CNS)(H)	N(CNS)(H)2	119.3067	0.125	3	119.3067	0.016	3	119.0623	0.553	8	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:S-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(SZn)(NH)	N(CNS)(H)	N(CNS)(H)2	C(NHH)(SZn)(NH)	N(CNS)(H)	N(CNS)(H)2	119.2103	0.778	4	119.2103	0.605	4	119.0623	0.553	8	119.8717	2.529	36	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:3:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NH)2	N(CNN)(H)	N(CNN)(CNO)(H)	C(NCH)(NH)2	N(CNN)(H)	N(CNN)(CNO)(H)	119.6955	3.948	2	119.6955	15.585	2	119.4442	8.669	4	118.5230	10.745	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:3:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NH)2	N(CNN)(H)	N(CNN)2(H)	C(NCH)(NH)2	N(CNN)(H)	N(CNN)2(H)	119.1930	3.189	2	119.1930	10.170	2	119.4442	8.669	4	118.5230	10.745	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	3:3:1:	N-3:S-2:N-2:	C-3:H-1:	N-3:C-3:H-1:	C(NHN)(SSn)(NH)	N(CNS)(H)	N(NSnC)(CNS)(H)	C(NHN)(SSn)(NH)	N(CNS)(H)	N(NSnC)(CNS)(H)	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	118.5230	10.745	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:1:	4:3:1:	N-3:N-2:N-2:	C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NH)(NN)	N(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)(NH)(NN)	N(CNN)(H)	N(CCHH)(CNN)(H)	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:N-2:	C-3:C-2:	C-3:H-1:H-1:	C(NHH)(NC)(NH)	N(CNN)(CN)	N(CNN)(H)2	C(NHH)(NC)(NH)	N(CNN)(CN)	N(CNN)(H)2	124.4290	0.000	1	124.4290	0.000	1	124.4290	0.000	1	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NH)(NN)	N(CNN)(NC)	N(CNN)(H)2	C(NHH)(NH)(NN)	N(CNN)(NC)	N(CNN)(H)2	117.6430	0.000	1	117.6430	0.000	1	113.1208	5.438	6	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NH)(NN)	N(CNN)(NN)	N(CNN)(H)2	C(NHH)(NH)(NN)	N(CNN)(NN)	N(CNN)(H)2	112.3490	0.000	1	112.3490	0.000	1	113.1208	5.438	6	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NN)(NS)	N(CNN)(NN)	N(CNN)(H)2	C(NHH)(NN)(NS)	N(CNN)(NN)	N(CNN)(H)2	111.3785	0.098	2	111.3785	0.010	2	113.1208	5.438	6	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NN)2	N(CNN)(NN)	N(CNN)(H)2	C(NHH)(NN)2	N(CNN)(NN)	N(CNN)(H)2	112.9880	0.165	2	112.9880	0.027	2	113.1208	5.438	6	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:S-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NN)(SC)	N(CNS)(NC)	N(CNS)(H)2	C(NHH)(NN)(SC)	N(CNS)(NC)	N(CNS)(H)2	121.9130	4.642	3	121.9130	21.552	3	121.9130	21.552	3	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:O-2:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(ONi)(NN)	N(CNO)(NNi)	N(CNO)(H)2	C(NHH)(ONi)(NN)	N(CNO)(NNi)	N(CNO)(H)2	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	116.9315	28.826	11	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:2:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:N-2:H-1:	C(NHN)(NN)2	N(CNN)(NC)	N(CNN)(NC)(H)	C(NHN)(NN)2	N(CNN)(NC)	N(CNN)(NC)(H)	119.3100	0.272	2	119.3100	0.074	2	119.3100	0.074	2	119.3100	0.074	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:3:1:	N-3:N-2:S-2:	C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(SC)	N(CNS)(CN)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(SC)	N(CNS)(CN)	N(C[6a]C[6a]2)(CNS)(H)	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	121.1155	21.294	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:3:1:	N-3:N-2:S-2:	C-3:N-2:	C-3:C-3:H-1:	C(NCH)(NN)(SC)	N(CNS)(NC)	N(CCH)(CNS)(H)	C(NCH)(NN)(SC)	N(CNS)(NC)	N(CCH)(CNS)(H)	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	121.1155	21.294	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:3:1:	N-3:O-2:N-2:	C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(NC)	N(CNO)(CN)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C(NC[6a]H)(OC[6a])(NC)	N(CNO)(CN)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	130.3910	0.000	1	130.3910	0.000	1	130.3910	0.000	1	121.1155	21.294	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:3:1:	N-3:S-2:N-2:	C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SIn[5])(NN)	N(CNS)(NC)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SIn[5])(NN)	N(CNS)(NC)	N(C[6a]C[6a]2)(CNS)(H)	117.7990	0.000	1	117.7990	0.000	1	119.1793	1.518	3	121.1155	21.294	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	3:3:1:	N-3:S-2:N-2:	C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SPt)(NN)	N(CNS)(NC)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPt)(NN)	N(CNS)(NC)	N(C[6a]C[6a]2)(CNS)(H)	119.8695	0.422	2	119.8695	0.178	2	119.1793	1.518	3	121.1155	21.294	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	4:3:1:	N-3:N-2:N-2:	C-3:N-2:	C-4:C-3:H-1:	C(NCH)(NH)(NN)	N(CNN)(NC)	N(CCHH)(CNN)(H)	C(NCH)(NH)(NN)	N(CNN)(NC)	N(CCHH)(CNN)(H)	118.4410	0.000	1	118.4410	0.000	1	118.4410	0.000	1	118.5940	0.047	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:2:	4:3:1:	N-3:N-2:S-2:	C-3:C-2:	C-4:C-3:H-1:	C(NCH)(NC)(SC)	N(CNS)(CN)	N(CC[6a]HH)(CNS)(H)	C(NCH)(NC)(SC)	N(CNS)(CN)	N(CC[6a]HH)(CNS)(H)	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	118.5940	0.047	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-1:C-1:	C(NCC)(NPt)(NC)	N(CNN)2	N(CNN)(C)2	C(NCC)(NPt)(NC)	N(CNN)2	N(CNN)(C)2	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(NH)	N(CC[6a]O)(CNN)	N(CNN)(H)2	C(NHH)(NC)(NH)	N(CC[6a]O)(CNN)	N(CNN)(H)2	117.4260	0.000	1	117.4260	0.000	1	120.3830	21.120	4	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(NH)	N(CNN)2	N(CNN)(H)2	C(NHH)(NC)(NH)	N(CNN)2	N(CNN)(H)2	117.6530	0.000	1	117.6530	0.000	1	120.3830	21.120	4	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NC)2	N(CNN)(CSS)	N(CNN)(H)2	C(NHH)(NC)2	N(CNN)(CSS)	N(CNN)(H)2	119.2900	0.000	1	119.2900	0.000	1	120.3830	21.120	4	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NC)2	N(CNN)2	N(CNN)(H)2	C(NHH)(NC)2	N(CNN)2	N(CNN)(H)2	127.1630	0.000	1	127.1630	0.000	1	120.3830	21.120	4	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)(NC)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NHH)(NC)(NN)	N(CNN)(NOO)	N(CNN)(H)2	113.2850	0.000	1	113.2850	0.000	1	125.3513	109.321	3	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)(NN)2	N(CNN)(NOO)	N(CNN)(H)2	C(NHH)(NN)2	N(CNN)(NOO)	N(CNN)(H)2	131.3845	0.497	2	131.3845	0.247	2	125.3513	109.321	3	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	N-3:C-3:	C-3:O-1:O-1:	C(NOO)(NN)2	N(NC[6a]H)(CNN)	N(CNN)(O)2	C(NOO)(NN)2	N(NC[6a]H)(CNN)	N(CNN)(O)2	112.8955	0.226	4	112.8955	0.051	4	112.8955	0.051	4	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:S-2:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)(NN)(SC)	N(CNS)(NCH)	N(CNS)(H)2	C(NHH)(NN)(SC)	N(CNS)(NCH)	N(CNS)(H)2	126.7160	0.000	1	126.7160	0.000	1	126.7160	0.000	1	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:O-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(ONi)(NN)	N(NNiC)(CNO)	N(CNO)(H)2	C(NHH)(ONi)(NN)	N(NNiC)(CNO)	N(CNO)(H)2	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(SNi)(NC)	N(CNS)2	N(CNS)(H)2	C(NHH)(SNi)(NC)	N(CNS)2	N(CNS)(H)2	115.6522	0.293	4	115.6522	0.086	4	115.6522	0.086	4	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SCo)(NN)	N(NCoC)(CNS)	N(CNS)(H)2	C(NHH)(SCo)(NN)	N(NCoC)(CNS)	N(CNS)(H)2	118.1690	0.283	2	118.1690	0.080	2	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SCu)(NN)	N(NCuC)(CNS)	N(CNS)(H)2	C(NHH)(SCu)(NN)	N(NCuC)(CNS)	N(CNS)(H)2	117.3699	0.440	8	117.3699	0.193	8	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SFe)(NN)	N(NFeC)(CNS)	N(CNS)(H)2	C(NHH)(SFe)(NN)	N(NFeC)(CNS)	N(CNS)(H)2	118.3081	1.062	14	118.3081	1.128	14	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SMn)(NN)	N(NMnC)(CNS)	N(CNS)(H)2	C(NHH)(SMn)(NN)	N(NMnC)(CNS)	N(CNS)(H)2	114.4355	0.339	2	114.4355	0.115	2	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SNi)(NN)	N(NNiC)(CNS)	N(CNS)(H)2	C(NHH)(SNi)(NN)	N(NNiC)(CNS)	N(CNS)(H)2	118.4396	0.939	16	118.4396	0.882	16	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SPd)(NN)	N(NC[5]Pd)(CNS)	N(CNS)(H)2	C(NHH)(SPd)(NN)	N(NC[5]Pd)(CNS)	N(CNS)(H)2	117.4670	2.854	2	117.4670	8.145	2	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SPd)(NN)	N(NPdC)(CNS)	N(CNS)(H)2	C(NHH)(SPd)(NN)	N(NPdC)(CNS)	N(CNS)(H)2	117.9411	0.916	14	117.9411	0.838	14	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SPt)(NN)	N(NPtC)(CNS)	N(CNS)(H)2	C(NHH)(SPt)(NN)	N(NPtC)(CNS)	N(CNS)(H)2	118.2356	0.636	5	118.2356	0.404	5	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SRh)(NN)	N(NRhC)(CNS)	N(CNS)(H)2	C(NHH)(SRh)(NN)	N(NRhC)(CNS)	N(CNS)(H)2	116.6707	0.776	4	116.6707	0.602	4	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SSn)(NN)	N(NSnC)(CNS)	N(CNS)(H)2	C(NHH)(SSn)(NN)	N(NSnC)(CNS)	N(CNS)(H)2	116.5583	1.668	4	116.5583	2.781	4	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SZn)(NN)	N(NZnC)(CNS)	N(CNS)(H)2	C(NHH)(SZn)(NN)	N(NZnC)(CNS)	N(CNS)(H)2	115.9996	0.362	5	115.9996	0.131	5	117.7068	1.648	76	117.8102	8.764	94	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:1:	N-3:O-2:N-2:	N-3:C-3:	C-3:N-2:H-1:	C(NHN)(OMo)(NN)	N(NMoC)(CNO)	N(CNO)(NC)(H)	C(NHN)(OMo)(NN)	N(NMoC)(CNO)	N(CNO)(NC)(H)	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	115.0447	8.945	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:N-2:H-1:	C(NHN)(SNi)(NN)	N(NNiC)(CNS)	N(CNS)(NC)(H)	C(NHN)(SNi)(NN)	N(NNiC)(CNS)	N(CNS)(NC)(H)	115.4720	0.000	1	115.4720	0.000	1	113.9512	0.689	6	115.0447	8.945	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:N-2:H-1:	C(NHN)(SSn)(NN)	N(NSnC)(CNS)	N(CNS)(NC)(H)	C(NHN)(SSn)(NN)	N(NSnC)(CNS)	N(CNS)(NC)(H)	113.6748	0.466	4	113.6748	0.217	4	113.9512	0.689	6	115.0447	8.945	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:2:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:N-2:H-1:	C(NHN)(SZn)(NN)	N(NZnC)(CNS)	N(CNS)(NC)(H)	C(NHN)(SZn)(NN)	N(NZnC)(CNS)	N(CNS)(NC)(H)	113.5360	0.000	1	113.5360	0.000	1	113.9512	0.689	6	115.0447	8.945	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:C-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	117.1980	0.000	1	117.1980	0.000	1	120.5620	22.633	2	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:C-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	123.9260	0.000	1	123.9260	0.000	1	120.5620	22.633	2	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NC)2	N(CC[6a]O)(CNN)	N(CC[6a]O)(CNN)(H)	C(NCH)(NC)2	N(CC[6a]O)(CNN)	N(CC[6a]O)(CNN)(H)	124.4695	0.368	2	124.4695	0.136	2	118.3500	66.911	5	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NC)2	N(CNN)(COO)	N(CC[5]O)(CNN)(H)	C(NCH)(NC)2	N(CNN)(COO)	N(CC[5]O)(CNN)(H)	124.0070	0.000	1	124.0070	0.000	1	118.3500	66.911	5	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NC)2	N(CNN)2	N(CC[6a]O)(CNN)(H)	C(NCH)(NC)2	N(CNN)2	N(CC[6a]O)(CNN)(H)	109.8910	0.000	1	109.8910	0.000	1	118.3500	66.911	5	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NC)2	N(CN[6]N)(CNN)	N(CC[6a]O)(CNN)(H)	C(NCH)(NC)2	N(CN[6]N)(CNN)	N(CC[6a]O)(CNN)(H)	108.9130	0.000	1	108.9130	0.000	1	118.3500	66.911	5	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN[6])(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NN[6])(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	120.2900	0.000	1	120.2900	0.000	1	120.2900	0.000	1	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	N[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN[6])(NC)	N(N[6]C[6]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NN[6])(NC)	N(N[6]C[6]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	116.8270	0.000	1	116.8270	0.000	1	116.8270	0.000	1	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NC)(OC)	N(CCH)(CNO)	N(CCH)(CNO)(H)	C(NCH)(NC)(OC)	N(CCH)(CNO)	N(CCH)(CNO)(H)	127.0450	0.000	1	127.0450	0.000	1	127.0450	0.000	1	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:O-2:	C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(OLi)	N(C[5]N[5]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(OLi)	N(C[5]N[5]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:S-2:	C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN)(SV)	N(CNS)(NCV)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN)(SV)	N(CNS)(NCV)	N(C[6a]C[6a]2)(CNS)(H)	119.6210	0.000	1	119.6210	0.000	1	119.6210	0.000	1	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:C-3:H-1:	C(NCH)(SNi)(NN)	N(NNiC)(CNS)	N(CC[6a]O)(CNS)(H)	C(NCH)(SNi)(NN)	N(NNiC)(CNS)	N(CC[6a]O)(CNS)(H)	114.6580	1.363	2	114.6580	1.859	2	114.6580	1.859	2	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCd)(NN)	N(NCdC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCd)(NN)	N(NCdC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	117.5440	1.725	3	117.5440	2.976	3	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(NN)	N(NCuC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NN)	N(NCuC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	119.3126	0.536	5	119.3126	0.288	5	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(NN)	N(NCuC)(CNS)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(SCu)(NN)	N(NCuC)(CNS)	N(C[6a]C[6a]N[6a])(CNS)(H)	117.8580	0.000	1	117.8580	0.000	1	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SMn)(NN)	N(NMnC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SMn)(NN)	N(NMnC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	117.9810	0.000	1	117.9810	0.000	1	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SNi)(NN)	N(NC[6]Ni)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NN)	N(NC[6]Ni)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.9945	0.224	2	120.9945	0.050	2	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SNi)(NN)	N(NNiC)(CNS)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(SNi)(NN)	N(NNiC)(CNS)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	119.4560	0.000	1	119.4560	0.000	1	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SNi)(NN)	N(NNiC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NN)	N(NNiC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.6469	1.137	11	120.6469	1.294	11	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SPd)(NN)	N(NPdC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPd)(NN)	N(NPdC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.6374	0.837	7	120.6374	0.701	7	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SPt)(NN)	N(NPtC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPt)(NN)	N(NPtC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.7293	0.748	3	120.7293	0.559	3	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SRu)(NN)	N(NRuC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SRu)(NN)	N(NRuC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	119.1325	0.187	2	119.1325	0.035	2	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SSn)(NN)	N(NSnC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SSn)(NN)	N(NSnC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	119.4030	1.105	3	119.4030	1.221	3	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SZn)(NN)	N(NC[6]Zn)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SZn)(NN)	N(NC[6]Zn)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.0195	0.678	2	120.0195	0.460	2	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SZn)(NN)	N(NZnC)(CNS)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(SZn)(NN)	N(NZnC)(CNS)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	118.3640	0.000	1	118.3640	0.000	1	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SZn)(NN)	N(NZnC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SZn)(NN)	N(NZnC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	118.4426	0.918	8	118.4426	0.842	8	119.6533	1.905	50	119.4608	8.159	64	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:N-2:O-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(OH)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC[6a])(OH)	N(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)2(CNO)	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:N-2:S-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a])(SC[6a])	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CCO)(CNS)	C(NC[6a]C)(NC[6a])(SC[6a])	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CCO)(CNS)	120.8490	0.000	1	120.8490	0.000	1	118.3765	12.227	2	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:N-2:S-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a])(SNi)	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CNiS)(CNS)	C(NC[6a]C)(NC[6a])(SNi)	N(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CNiS)(CNS)	115.9040	0.000	1	115.9040	0.000	1	118.3765	12.227	2	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SCo)(NC)	N(CC[5a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SCo)(NC)	N(CC[5a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	113.7420	0.446	3	113.7420	0.198	3	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SCo)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SCo)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	113.8117	0.720	3	113.8117	0.518	3	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SNi)(NC)	N(CC[5a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SNi)(NC)	N(CC[5a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	114.3995	0.648	2	114.3995	0.420	2	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SNi)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SNi)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	114.4250	0.346	2	114.4250	0.120	2	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SRe)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SRe)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	115.7260	1.629	2	115.7260	2.654	2	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SRh)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SRh)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	113.2850	0.000	1	113.2850	0.000	1	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(STc)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(STc)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	116.4795	0.067	2	116.4795	0.005	2	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:3:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SZn)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	C(NC[6a]2)(SZn)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)2(CNS)	113.6710	0.000	1	113.6710	0.000	1	114.4798	1.387	16	114.6389	4.760	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:4:3:	N-3:S-2:N-2:	C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(SRe)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CH3)(CNS)	C(NC[6a]C)(SRe)(NC)	N(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CH3)(CNS)	116.7043	0.697	4	116.7043	0.485	4	116.7043	0.485	4	118.1826	4.546	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	3:4:3:	N-3:S-2:N-2:	N-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(SRe)(NN)	N(NReC)(CNS)	N(C[6a]C[6a]2)(CH3)(CNS)	C(NC[6a]C)(SRe)(NN)	N(NReC)(CNS)	N(C[6a]C[6a]2)(CH3)(CNS)	120.1537	1.647	3	120.1537	2.713	3	120.1537	2.713	3	118.1826	4.546	7	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:N-2:C-2:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)	N(C[6]C[6]2H)(CCN)(H)	120.3345	1.884	2	120.3345	3.551	2	120.3345	3.551	2	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)(SPt)(NC)	N(CC[6a]O)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SPt)(NC)	N(CC[6a]O)(CNS)	N(CCHH)(CNS)(H)	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCd)(NN)	N(NCdC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SCd)(NN)	N(NCdC)(CNS)	N(CH3)(CNS)(H)	115.9510	0.000	1	115.9510	0.000	1	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCo)(NN)	N(NCoC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SCo)(NN)	N(NCoC)(CNS)	N(CCHH)(CNS)(H)	118.4750	0.000	1	118.4750	0.000	1	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCo)(NN)	N(NCoC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SCo)(NN)	N(NCoC)(CNS)	N(CH3)(CNS)(H)	117.0135	1.072	4	117.0135	1.150	4	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCu)(NN)	N(NCuC)(CNS)	N(CCCH)(CNS)(H)	C(NCH)(SCu)(NN)	N(NCuC)(CNS)	N(CCCH)(CNS)(H)	116.5984	1.329	5	116.5984	1.765	5	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCu)(NN)	N(NCuC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SCu)(NN)	N(NCuC)(CNS)	N(CCHH)(CNS)(H)	117.3620	0.100	3	117.3620	0.010	3	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCu)(NN)	N(NCuC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SCu)(NN)	N(NCuC)(CNS)	N(CH3)(CNS)(H)	117.4771	0.485	12	117.4771	0.236	12	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SFe)(NN)	N(NFeC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SFe)(NN)	N(NFeC)(CNS)	N(CH3)(CNS)(H)	118.1627	1.462	3	118.1627	2.137	3	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SMn)(NN)	N(NMnC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SMn)(NN)	N(NMnC)(CNS)	N(CCHH)(CNS)(H)	113.9400	0.000	1	113.9400	0.000	1	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SMn)(NN)	N(NMnC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SMn)(NN)	N(NMnC)(CNS)	N(CH3)(CNS)(H)	113.5340	0.000	1	113.5340	0.000	1	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SMo)(NN)	N(NMoC)(CNS)	N(CC[6a]3)(CNS)(H)	C(NCH)(SMo)(NN)	N(NMoC)(CNS)	N(CC[6a]3)(CNS)(H)	120.0070	0.000	1	120.0070	0.000	1	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NN)	N(NC[6]Ni)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NN)	N(NC[6]Ni)(CNS)	N(CH3)(CNS)(H)	119.2545	0.542	2	119.2545	0.294	2	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NN)	N(NNiC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SNi)(NN)	N(NNiC)(CNS)	N(CCHH)(CNS)(H)	118.5537	1.179	3	118.5537	1.390	3	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NN)	N(NNiC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NN)	N(NNiC)(CNS)	N(CH3)(CNS)(H)	118.4106	0.506	8	118.4106	0.256	8	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SPd)(NN)	N(NPdC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SPd)(NN)	N(NPdC)(CNS)	N(CCHH)(CNS)(H)	118.7883	0.745	3	118.7883	0.555	3	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SPd)(NN)	N(NPdC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SPd)(NN)	N(NPdC)(CNS)	N(CH3)(CNS)(H)	118.0718	1.328	9	118.0718	1.765	9	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SPt)(NN)	N(NPtC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SPt)(NN)	N(NPtC)(CNS)	N(CCHH)(CNS)(H)	117.9510	0.347	3	117.9510	0.120	3	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SRe)(NN)	N(NReC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SRe)(NN)	N(NReC)(CNS)	N(CH3)(CNS)(H)	120.7440	0.393	2	120.7440	0.155	2	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SRu)(NN)	N(NRuC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SRu)(NN)	N(NRuC)(CNS)	N(CCHH)(CNS)(H)	117.5655	0.279	2	117.5655	0.078	2	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SRu)(NN)	N(NRuC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SRu)(NN)	N(NRuC)(CNS)	N(CH3)(CNS)(H)	116.7070	0.349	2	116.7070	0.122	2	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SSn)(NN)	N(NC[5]Sn)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SSn)(NN)	N(NC[5]Sn)(CNS)	N(CCHH)(CNS)(H)	118.0260	0.000	1	118.0260	0.000	1	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SSn)(NN)	N(NSnC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SSn)(NN)	N(NSnC)(CNS)	N(CCHH)(CNS)(H)	117.0090	1.727	2	117.0090	2.982	2	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SSn)(NN)	N(NSnC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SSn)(NN)	N(NSnC)(CNS)	N(CH3)(CNS)(H)	118.6075	0.088	2	118.6075	0.008	2	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SZn)(NN)	N(NZnC)(CNS)	N(CCCH)(CNS)(H)	C(NCH)(SZn)(NN)	N(NZnC)(CNS)	N(CCCH)(CNS)(H)	116.8000	0.232	3	116.8000	0.054	3	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SZn)(NN)	N(NZnC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SZn)(NN)	N(NZnC)(CNS)	N(CCHH)(CNS)(H)	116.5570	1.411	8	116.5570	1.991	8	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SZn)(NN)	N(NZnC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SZn)(NN)	N(NZnC)(CNS)	N(CH3)(CNS)(H)	116.2213	1.281	6	116.2213	1.641	6	117.5346	2.026	88	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(SPt)(NN)	N(NPtC)(CNS)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(SPt)(NN)	N(NPtC)(CNS)	N(C[6]C[6]2H)(CNS)(H)	116.4320	0.000	1	116.4320	0.000	1	116.3946	0.299	7	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(SSn)(NN)	N(NSnC)(CNS)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(SSn)(NN)	N(NSnC)(CNS)	N(C[6]C[6]2H)(CNS)(H)	116.3883	0.599	6	116.3883	0.359	6	116.3946	0.299	7	117.5253	2.149	98	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:N-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NFe)(NC)	N(CFeN)(CNN)	N(CH3)2(CNN)	C(NCC)(NFe)(NC)	N(CFeN)(CNN)	N(CH3)2(CNN)	116.6760	0.000	1	116.6760	0.000	1	115.9500	0.397	3	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:N-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NNi)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NCC)(NNi)(NC)	N(CNN)2	N(CH3)2(CNN)	115.5870	0.049	2	115.5870	0.002	2	115.9500	0.397	3	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:N-2:N-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)2(CNN)	C(NC[6]2)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)2(CNN)	123.6157	2.239	4	123.6157	5.012	4	123.6157	5.012	4	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:O-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OCo)(NC)	N(CNO)(CNS)	N(CH3)2(CNO)	C(NCC)(OCo)(NC)	N(CNO)(CNS)	N(CH3)2(CNO)	114.8123	0.420	3	114.8123	0.176	3	115.2687	0.452	12	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:O-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OFe)(NC)	N(CNO)(CNS)	N(CCCH)2(CNO)	C(NCC)(OFe)(NC)	N(CNO)(CNS)	N(CCCH)2(CNO)	116.0533	0.603	3	116.0533	0.364	3	115.2687	0.452	12	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:O-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OFe)(NC)	N(CNO)(CNS)	N(CCHH)2(CNO)	C(NCC)(OFe)(NC)	N(CNO)(CNS)	N(CCHH)2(CNO)	114.9715	0.315	4	114.9715	0.099	4	115.2687	0.452	12	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:O-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(ONi)(NC)	N(CNO)(CNS)	N(CCHH)2(CNO)	C(NCC)(ONi)(NC)	N(CNO)(CNS)	N(CCHH)2(CNO)	115.3705	0.865	2	115.3705	0.748	2	115.2687	0.452	12	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:O-2:N-2:	C-3:N-3:	C-4:C-4:C-3:	C(NCC)(OSi)(NN)	N(CNO)(NCC)	N(CH3)2(CNO)	C(NCC)(OSi)(NN)	N(CNO)(NCC)	N(CH3)2(CNO)	120.2915	0.066	2	120.2915	0.004	2	120.2915	0.004	2	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCd)(NC)	N(CNS)2	N(CCHH)2(CNS)	C(NCC)(SCd)(NC)	N(CNS)2	N(CCHH)2(CNS)	116.6630	0.699	8	116.6630	0.488	8	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCo)(NC)	N(CNO)(CNS)	N(CH3)2(CNS)	C(NCC)(SCo)(NC)	N(CNO)(CNS)	N(CH3)2(CNS)	115.5100	0.745	3	115.5100	0.555	3	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCo)(NC)	N(CNS)2	N(CCHH)2(CNS)	C(NCC)(SCo)(NC)	N(CNS)2	N(CCHH)2(CNS)	114.0618	0.421	6	114.0618	0.177	6	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCo)(NC)	N(CNS)2	N(CH3)2(CNS)	C(NCC)(SCo)(NC)	N(CNS)2	N(CH3)2(CNS)	113.6964	0.748	5	113.6964	0.559	5	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(NC)	N(CC[5a]O)(CNS)	N(CC[6a]HH)2(CNS)	C(NCC)(SCu)(NC)	N(CC[5a]O)(CNS)	N(CC[6a]HH)2(CNS)	115.9970	0.677	2	115.9970	0.459	2	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	C(NCC)(SCu)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	115.3180	0.000	1	115.3180	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	C(NCC)(SCu)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	114.4170	0.000	1	114.4170	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(NC)	N(CC[6a]O)(CNS)	N(CH3)2(CNS)	C(NCC)(SCu)(NC)	N(CC[6a]O)(CNS)	N(CH3)2(CNS)	115.2246	0.502	5	115.2246	0.252	5	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SFe)(NC)	N(CNO)(CNS)	N(CCCH)2(CNS)	C(NCC)(SFe)(NC)	N(CNO)(CNS)	N(CCCH)2(CNS)	115.6633	0.579	3	115.6633	0.335	3	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SFe)(NC)	N(CNO)(CNS)	N(CCHH)2(CNS)	C(NCC)(SFe)(NC)	N(CNO)(CNS)	N(CCHH)2(CNS)	115.7215	0.487	4	115.7215	0.237	4	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CCO)(CNS)	N(CCCH)2(CNS)	C(NCC)(SNi)(NC)	N(CCO)(CNS)	N(CCCH)2(CNS)	115.6550	0.000	1	115.6550	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CC[5a]O)(CNS)	N(CC[6a]HH)2(CNS)	C(NCC)(SNi)(NC)	N(CC[5a]O)(CNS)	N(CC[6a]HH)2(CNS)	116.2375	0.593	2	116.2375	0.352	2	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	C(NCC)(SNi)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	116.1750	0.000	1	116.1750	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	115.3736	0.407	5	115.3736	0.166	5	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	N(CC[6a]HH)2(CNS)	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	N(CC[6a]HH)2(CNS)	114.4695	1.480	2	114.4695	2.190	2	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	N(CH3)2(CNS)	C(NCC)(SNi)(NC)	N(CC[6a]O)(CNS)	N(CH3)2(CNS)	115.3370	0.206	2	115.3370	0.043	2	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CNO)(CNS)	N(CCHH)2(CNS)	C(NCC)(SNi)(NC)	N(CNO)(CNS)	N(CCHH)2(CNS)	115.3040	0.387	2	115.3040	0.150	2	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CNS)2	N(CCHH)2(CNS)	C(NCC)(SNi)(NC)	N(CNS)2	N(CCHH)2(CNS)	114.6691	0.127	9	114.6691	0.016	9	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NC)	N(CNS)2	N(CH3)2(CNS)	C(NCC)(SNi)(NC)	N(CNS)2	N(CH3)2(CNS)	113.5070	0.000	1	113.5070	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SPd)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	C(NCC)(SPd)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	114.7740	0.158	4	114.7740	0.025	4	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SPt)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	C(NCC)(SPt)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	116.7627	2.083	19	116.7627	4.338	19	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SRe)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	C(NCC)(SRe)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	116.8949	1.652	10	116.8949	2.728	10	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SRe)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	C(NCC)(SRe)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	115.2036	1.039	7	115.2036	1.080	7	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SRu)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	C(NCC)(SRu)(NC)	N(CC[6a]O)(CNS)	N(CCHH)2(CNS)	114.4280	0.000	1	114.4280	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(STc)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	C(NCC)(STc)(NC)	N(CC[6a]N)(CNS)	N(CCHH)2(CNS)	116.4190	0.000	1	116.4190	0.000	1	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SZn)(NC)	N(CCO)(CNS)	N(CCCH)2(CNS)	C(NCC)(SZn)(NC)	N(CCO)(CNS)	N(CCCH)2(CNS)	116.1825	1.568	2	116.1825	2.458	2	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(SZn)(NC)	N(CNS)2	N(CCHH)2(CNS)	C(NCC)(SZn)(NC)	N(CNS)2	N(CCHH)2(CNS)	116.3282	0.231	8	116.3282	0.054	8	115.6882	2.095	115	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCd)(NN)	N(NCdC)(CNS)	N(CH3)2(CNS)	C(NCC)(SCd)(NN)	N(NCdC)(CNS)	N(CH3)2(CNS)	113.7630	0.477	2	113.7630	0.227	2	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(NN)	N(NCuC)(CNS)	N(CH3)2(CNS)	C(NCC)(SCu)(NN)	N(NCuC)(CNS)	N(CH3)2(CNS)	116.4213	0.452	4	116.4213	0.204	4	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NN)	N(NC[6a]Ni)(CNS)	N(CCHH)2(CNS)	C(NCC)(SNi)(NN)	N(NC[6a]Ni)(CNS)	N(CCHH)2(CNS)	117.0640	0.000	1	117.0640	0.000	1	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SPd)(NN)	N(NC[6a]Pd)(CNS)	N(CCHH)2(CNS)	C(NCC)(SPd)(NN)	N(NC[6a]Pd)(CNS)	N(CCHH)2(CNS)	117.4330	0.000	1	117.4330	0.000	1	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SPd)(NN)	N(NPdC)(CNS)	N(CH3)2(CNS)	C(NCC)(SPd)(NN)	N(NPdC)(CNS)	N(CH3)2(CNS)	118.5510	0.000	1	118.5510	0.000	1	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SPt)(NN)	N(NC[6a]Pt)(CNS)	N(CCHH)2(CNS)	C(NCC)(SPt)(NN)	N(NC[6a]Pt)(CNS)	N(CCHH)2(CNS)	118.0190	0.000	1	118.0190	0.000	1	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SPt)(NN)	N(NPtC)(CNS)	N(CH3)2(CNS)	C(NCC)(SPt)(NN)	N(NPtC)(CNS)	N(CH3)2(CNS)	118.8285	1.650	2	118.8285	2.721	2	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SRe)(NN)	N(NReC)(CNS)	N(CCHH)2(CNS)	C(NCC)(SRe)(NN)	N(NReC)(CNS)	N(CCHH)2(CNS)	120.6442	1.914	5	120.6442	3.664	5	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(STc)(NN)	N(NTcC)(CNS)	N(CH3)2(CNS)	C(NCC)(STc)(NN)	N(NTcC)(CNS)	N(CH3)2(CNS)	119.9130	0.000	1	119.9130	0.000	1	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SZn)(NN)	N(NZnC)(CNS)	N(CH3)2(CNS)	C(NCC)(SZn)(NN)	N(NZnC)(CNS)	N(CH3)2(CNS)	113.2855	0.359	2	113.2855	0.129	2	117.5820	7.720	20	116.1660	4.764	156	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:1:	N-3:N-2:N-2:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(NH)	N(CC[6a]HH)(CNN)	N(CNN)(H)2	C(NHH)(NC)(NH)	N(CC[6a]HH)(CNN)	N(CNN)(H)2	121.0190	0.000	1	121.0190	0.000	1	120.7180	0.181	2	123.5328	29.769	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:1:	N-3:N-2:N-2:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(NC)(NN)	N(CCHH)(CNN)	N(CNN)(H)2	C(NHH)(NC)(NN)	N(CCHH)(CNN)	N(CNN)(H)2	120.4170	0.000	1	120.4170	0.000	1	120.7180	0.181	2	123.5328	29.769	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:1:	N-3:N-2:N-2:	S-4:C-3:	C-3:H-1:H-1:	C(NHH)(NN)(NS)	N(SC[6a]OO)(CNN)	N(CNN)(H)2	C(NHH)(NN)(NS)	N(SC[6a]OO)(CNN)	N(CNN)(H)2	130.5185	0.008	2	130.5185	0.000	2	130.5185	0.000	2	123.5328	29.769	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:1:	N-3:S-2:N-2:	N-4:C-3:	C-3:H-1:H-1:	C(NHH)(SNi)(NN)	N(NNiCC)(CNS)	N(CNS)(H)2	C(NHH)(SNi)(NN)	N(NNiCC)(CNS)	N(CNS)(H)2	118.9000	0.000	1	118.9000	0.000	1	119.3620	0.427	2	123.5328	29.769	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:1:1:	N-3:S-2:N-2:	N-4:C-3:	C-3:H-1:H-1:	C(NHH)(SNi)(NN)	N(NNiHH)(CNS)	N(CNS)(H)2	C(NHH)(SNi)(NN)	N(NNiHH)(CNS)	N(CNS)(H)2	119.8240	0.000	1	119.8240	0.000	1	119.3620	0.427	2	123.5328	29.769	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:N-2:N-2:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(NC)2	N(CH3)(CNN)	N(CC[5]O)(CNN)(H)	C(NCH)(NC)2	N(CH3)(CNN)	N(CC[5]O)(CNN)(H)	117.1370	0.000	1	117.1370	0.000	1	117.1370	0.000	1	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(SCu)(NC)	N(CCHH)(CNS)	N(CC[6a]O)(CNS)(H)	C(NCH)(SCu)(NC)	N(CCHH)(CNS)	N(CC[6a]O)(CNS)(H)	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(SCu)(NC)	N(CCHH)(CNS)	N(NCuC)(CNS)(H)	C(NHN)(SCu)(NC)	N(CCHH)(CNS)	N(NCuC)(CNS)(H)	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	N-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(NN)	N(NCuCC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NN)	N(NCuCC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	119.7010	0.000	1	119.7010	0.000	1	119.7010	0.000	1	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C-3:N-3:H-1:	C(NHN)(SAg)(NP)	N(POOS)(CNS)	N(CNS)(NCH)(H)	C(NHN)(SAg)(NP)	N(POOS)(CNS)	N(CNS)(NCH)(H)	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCd)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCd)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.1870	0.000	1	120.1870	0.000	1	119.1795	2.916	11	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCo)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCo)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.5135	0.829	2	120.5135	0.688	2	119.1795	2.916	11	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	117.1737	0.914	4	117.1737	0.836	4	119.1795	2.916	11	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SNi)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.6155	0.108	2	120.6155	0.012	2	119.1795	2.916	11	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SPd)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPd)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.1110	0.000	1	120.1110	0.000	1	119.1795	2.916	11	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SPd)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(SPd)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]N[6a])(CNS)(H)	119.7240	0.000	1	119.7240	0.000	1	119.1795	2.916	11	118.4349	4.074	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	N-4:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NN)	N(NNiCC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SNi)(NN)	N(NNiCC)(CNS)	N(CCHH)(CNS)(H)	119.7710	0.000	1	119.7710	0.000	1	117.5820	4.192	5	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	N-4:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NN)	N(NNiCC)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NN)	N(NNiCC)(CNS)	N(CH3)(CNS)(H)	117.3010	0.000	1	117.3010	0.000	1	117.5820	4.192	5	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	N-4:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NN)	N(NNiHH)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NN)	N(NNiHH)(CNS)	N(CH3)(CNS)(H)	119.5990	0.000	1	119.5990	0.000	1	117.5820	4.192	5	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	N-4:C-3:	C-4:C-3:H-1:	C(NCH)(SZn)(NN)	N(NZnHH)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SZn)(NN)	N(NZnHH)(CNS)	N(CCHH)(CNS)(H)	115.6195	0.353	2	115.6195	0.125	2	117.5820	4.192	5	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	P-4:C-3:	C-4:C-3:H-1:	C(NCH)(SCu)(NP)	N(POOS)(CNS)	N(CCCH)(CNS)(H)	C(NCH)(SCu)(NP)	N(POOS)(CNS)	N(CCCH)(CNS)(H)	118.5820	0.000	1	118.5820	0.000	1	117.2368	0.851	4	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	P-4:C-3:	C-4:C-3:H-1:	C(NCH)(SCu)(NP)	N(POOS)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SCu)(NP)	N(POOS)(CNS)	N(CH3)(CNS)(H)	116.6810	0.264	2	116.6810	0.070	2	117.2368	0.851	4	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:S-2:N-2:	P-4:C-3:	C-4:C-3:H-1:	C(NCH)(SNi)(NP)	N(POOS)(CNS)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NP)	N(POOS)(CNS)	N(CH3)(CNS)(H)	117.0030	0.000	1	117.0030	0.000	1	117.2368	0.851	4	117.4286	2.448	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:3:3:	N-3:O-2:N-2:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OAl)(NC)	N(CC3)(CNO)	N(CC3)(CHO)(CNO)	C(NCC)(OAl)(NC)	N(CC3)(CNO)	N(CC3)(CHO)(CNO)	114.7070	0.000	1	114.7070	0.000	1	114.7070	0.000	1	114.7070	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:4:3:	N-3:S-2:N-2:	P-4:C-3:	C-4:C-4:C-3:	C(NCC)(SCu)(NP)	N(POOS)(CNS)	N(CH3)2(CNS)	C(NCC)(SCu)(NP)	N(POOS)(CNS)	N(CH3)2(CNS)	116.2300	0.000	1	116.2300	0.000	1	116.3640	0.036	2	116.3640	0.036	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:2:	4:3:	4:4:3:	N-3:S-2:N-2:	P-4:C-3:	C-4:C-4:C-3:	C(NCC)(SNi)(NP)	N(POOS)(CNS)	N(CCHH)2(CNS)	C(NCC)(SNi)(NP)	N(POOS)(CNS)	N(CCHH)2(CNS)	116.4980	0.000	1	116.4980	0.000	1	116.3640	0.036	2	116.3640	0.036	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[5a]N)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[5a]N)	N(CC[5a]N)(H)2	118.6510	0.000	1	118.6510	0.000	1	118.6510	0.000	1	124.8835	4.033	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:1:1:	C[6]-3:N-2:N-3:	C[5]-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]N[6])(NC[5])(NHH)	N(C[5]C[5,6a]N[5])(CC[6]N)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[5])(NHH)	N(C[5]C[5,6a]N[5])(CC[6]N)	N(CC[6]N)(H)2	128.4240	0.000	1	128.4240	0.000	1	128.4240	0.000	1	124.8835	4.033	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(H)2	124.6431	1.023	15	124.6431	1.046	15	125.0264	1.932	18	124.8835	4.033	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)(H)2	126.1010	0.844	2	126.1010	0.713	2	125.0264	1.932	18	124.8835	4.033	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)(H)2	128.6270	0.000	1	128.6270	0.000	1	125.0264	1.932	18	124.8835	4.033	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:1:1:	N-3:N-2:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	124.9430	0.307	2	124.9430	0.094	2	124.9430	0.094	2	124.8835	4.033	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CNO)(H)	120.0272	0.259	4	120.0272	0.067	4	120.6423	2.430	7	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CNS)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CNS)(H)	120.1180	0.068	2	120.1180	0.005	2	120.6423	2.430	7	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CC[6a]O)(H)	124.1510	0.000	1	124.1510	0.000	1	120.6423	2.430	7	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:P-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHP)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(PCC)(H)	C(C[6a]C[6a]2)(NC[6a])(NHP)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(PCC)(H)	123.5295	0.193	2	123.5295	0.037	2	123.5295	0.037	2	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	N-3:N-2:C-3:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	130.6605	1.871	4	130.6605	3.501	4	130.6605	3.501	4	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	N-3:N-2:N-3:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5a])(NCH)	N(C[5a]N[5a]S[5a])(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	N(C[5a]N[5a]S[5a])(CNN)	N(C[6a]C[6a]2)(CNN)(H)	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	N-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)	N(CC[5]O)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)	N(CC[5]O)(CNN)(H)	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	N-3:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	122.0100	0.000	1	122.0100	0.000	1	122.4668	1.046	4	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	N-3:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	123.9200	0.000	1	123.9200	0.000	1	122.4668	1.046	4	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:3:1:	N-3:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	121.9685	0.568	2	121.9685	0.322	2	122.4668	1.046	4	123.5023	17.360	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5a]C[5a,6a]N[5a])(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[5a]N)	N(CC[5a]N)(CC3)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[5a]N)	N(CC[5a]N)(CC3)(H)	121.8875	0.462	2	121.8875	0.213	2	121.8875	0.213	2	120.4230	1.899	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CCHH)(H)	119.5100	0.460	2	119.5100	0.211	2	119.4467	0.118	3	120.4230	1.899	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)	N(CC[6a]N)(CH3)(H)	119.3200	0.000	1	119.3200	0.000	1	119.4467	0.118	3	120.4230	1.899	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:4:3:	N-3:N-2:N-3:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	125.3860	0.321	2	125.3860	0.103	2	125.3860	0.103	2	125.3860	0.103	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CH3)2	C(C[6a]C[6a]2)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]N)(CH3)2	119.2875	0.046	2	119.2875	0.002	2	119.2875	0.002	2	119.2875	0.002	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	4:3:1:	N-3:N-2:N-3:	C[5a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NC[5a])(NCH)	N(C[5a]N[5a]S[5a])(CNN)	N(CCHH)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	N(C[5a]N[5a]S[5a])(CNN)	N(CCHH)(CNN)(H)	124.6850	0.000	1	124.6850	0.000	1	124.6850	0.000	1	124.6850	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	4:4:3:	N-3:N-2:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	119.0870	0.279	2	119.0870	0.078	2	119.5787	0.764	3	119.5787	0.764	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:	4:4:3:	N-3:N-2:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(CCCH)2(CNN)	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)	N(CCCH)2(CNN)	120.5620	0.000	1	120.5620	0.000	1	119.5787	0.764	3	119.5787	0.764	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	4:3:	4:4:3:	N-3:N-2:N-3:	C[6]-4:C-3:	C-4:C-4:C-3:	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	N(CH3)2(CNN)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	N(CH3)2(CNN)	120.1760	0.000	1	120.1760	0.000	1	120.1760	0.000	1	120.2723	31.417	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	4:3:	4:4:3:	N-3:N-2:N-3:	C[6]-4:C-3:	C[6]-4:Si-4:C-3:	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(CNN)	N(C[6]C[6]2H)(SiC3)(CNN)	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(CNN)	N(C[6]C[6]2H)(SiC3)(CNN)	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	120.2723	31.417	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	4:3:	4:4:3:	N-3:N-2:N-3:	C[6]-4:C-3:	Si-4:Si-4:C-3:	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(CNN)	N(SiC3)2(CNN)	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(CNN)	N(SiC3)2(CNN)	125.9250	0.000	1	125.9250	0.000	1	125.9250	0.000	1	120.2723	31.417	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:C-4:	C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(CH3)	N(C[5]N[5]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[5])(CH3)	N(C[5]N[5]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	117.1990	0.000	1	117.1990	0.000	1	120.7844	15.530	17	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	122.5024	5.611	7	122.5024	31.487	7	120.7844	15.530	17	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	118.8887	1.050	3	118.8887	1.103	3	120.7844	15.530	17	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	120.7285	0.094	2	120.7285	0.009	2	120.7844	15.530	17	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	120.1238	1.940	4	120.1238	3.764	4	120.7844	15.530	17	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:1:	N-3:N-2:P-4:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(H)	129.6255	0.180	2	129.6255	0.033	2	129.6255	0.033	2	121.5719	20.851	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:3:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C(NC[6a]C)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	121.4557	56.272	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:3:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C(NC[6a]2)(NC[6a])(CF3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	130.1150	0.000	1	130.1150	0.000	1	123.7125	81.984	2	121.4557	56.272	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	3:3:3:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C(NC[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	117.3100	0.000	1	117.3100	0.000	1	123.7125	81.984	2	121.4557	56.272	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	3:3:	4:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6]C[6]2H)(CCN)(H)	128.5000	0.000	1	128.5000	0.000	1	128.5000	0.000	1	128.5000	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	4:3:	3:3:1:	N-3:N-2:C-4:	C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6])(CH3)	N(C[6]C[6]2Mo)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6])(CH3)	N(C[6]C[6]2Mo)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	4:3:	4:3:3:	N-3:N-2:C-4:	C[6]-4:C-3:	C[6]-4:P-3:C-3:	C(NC[6]P)(NC[6])(CH3)	N(C[6]C[6]2H)(CCN)	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C(NC[6]P)(NC[6])(CH3)	N(C[6]C[6]2H)(CCN)	N(C[6]C[6]2H)(PC[6a]2)(CCN)	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:2:4:	4:3:	4:4:3:	N-3:N-2:C-4:	C[6]-4:C-3:	C[6]-4:Ge-4:C-3:	C(NC[6]Ge)(NC[6])(CH3)	N(C[6]C[6]2H)(CCN)	N(C[6]C[6]2H)(GeSe2N)(CCN)	C(NC[6]Ge)(NC[6])(CH3)	N(C[6]C[6]2H)(CCN)	N(C[6]C[6]2H)(GeSe2N)(CCN)	117.5165	0.353	2	117.5165	0.125	2	117.5165	0.125	2	117.5165	0.125	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	2:3:	3:1:1:	N-3:N-3:N-2:	N-2:C-3:	C-3:H-1:H-1:	C(NHH)2(NN)	N(NC[5])(CNN)	N(CNN)(H)2	C(NHH)2(NN)	N(NC[5])(CNN)	N(CNN)(H)2	125.4120	0.000	1	125.4120	0.000	1	125.4120	0.000	1	125.4120	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	2:3:	4:3:1:	N-3:N-3:N-2:	N-2:C-3:	C-4:C-3:H-1:	C(NCH)2(NN)	N(NC[5])(CNN)	N(CC3)(CNN)(H)	C(NCH)2(NN)	N(NC[5])(CNN)	N(CC3)(CNN)(H)	119.3370	0.000	1	119.3370	0.000	1	121.5160	9.496	2	121.5160	9.496	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	2:3:	4:3:1:	N-3:N-3:N-2:	N-2:C-3:	C-4:C-3:H-1:	C(NCH)2(NN)	N(NC[5])(CNN)	N(CCHH)(CNN)(H)	C(NCH)2(NN)	N(NC[5])(CNN)	N(CCHH)(CNN)(H)	123.6950	0.000	1	123.6950	0.000	1	121.5160	9.496	2	121.5160	9.496	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	121.8240	0.000	1	121.8240	0.000	1	121.0430	5.906	8	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	119.5460	0.000	1	119.5460	0.000	1	121.0430	5.906	8	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	120.1960	0.000	1	120.1960	0.000	1	121.0430	5.906	8	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	121.3556	3.053	5	121.3556	9.322	5	121.0430	5.906	8	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NCC)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	C(NCC)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	118.3470	0.000	2	118.3470	0.000	2	120.4642	2.780	61	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	121.4078	0.998	6	121.4078	0.997	6	120.4642	2.780	61	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NCoC)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	C(NCoC)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	118.7540	0.000	1	118.7540	0.000	1	120.4642	2.780	61	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(H)2	121.4382	0.333	4	121.4382	0.111	4	120.4642	2.780	61	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NH)	N(CNN)(H)	N(CNN)(H)2	C(NHH)2(NH)	N(CNN)(H)	N(CNN)(H)2	120.3889	1.727	48	120.3889	2.982	48	120.4642	2.780	61	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:1:1:	N[6]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NH)	N(CN[6]N)(H)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NH)	N(CN[6]N)(H)	N(CN[6]N)(H)2	124.4615	0.514	2	124.4615	0.264	2	124.4615	0.264	2	120.6420	3.440	71	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:2:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:N-2:H-1:	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(NH)(H)	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(NH)(H)	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(NCH)(H)	125.1230	0.000	1	125.1230	0.000	1	125.1230	0.000	1	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:Cl-1:	C-3:C-3:H-1:	C(NCH)2(NCl)	N(CNN)(Cl)	N(CNN)(COO)(H)	C(NCH)2(NCl)	N(CNN)(Cl)	N(CNN)(COO)(H)	121.3808	6.393	5	121.3808	40.866	5	121.3808	40.866	5	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:C-3:H-1:	C(NCC)(NCH)(NH)	N(CNN)(H)	N(CNN)2(H)	C(NCC)(NCH)(NH)	N(CNN)(H)	N(CNN)2(H)	117.1110	0.000	1	117.1110	0.000	1	119.4073	7.119	7	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CC[6]O)(CNN)(H)	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CC[6]O)(CNN)(H)	120.1910	0.000	1	120.1910	0.000	1	119.4073	7.119	7	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CNN)(CNS)(H)	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CNN)(CNS)(H)	119.7098	3.015	5	119.7098	9.093	5	119.4073	7.119	7	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:N-3:H-1:	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(NHH)(H)	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(NHH)(H)	119.8495	0.733	2	119.8495	0.538	2	121.1453	5.306	3	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:N-3:H-1:	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(NOO)(H)	C(NHH)(NHN)(NH)	N(CNN)(H)	N(CNN)(NOO)(H)	123.7370	0.000	1	123.7370	0.000	1	121.1453	5.306	3	120.7071	16.731	16	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(SClOO)(H)	C(C[6a]C[6a]2)(NHS)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(SClOO)(H)	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	3:4:3:	N-3:N-3:N-2:	C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NH)	N(CNN)(H)	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)2(NH)	N(CNN)(H)	N(C[6a]C[6a]2)(CCCH)(CNN)	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:3:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(NH)	N(CC[6a]N)(H)	N(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	N(CC[6a]N)(H)	N(C[6]C[6]2H)(CC[6a]N)(H)	122.8773	4.166	3	122.8773	17.358	3	122.8773	17.358	3	121.1265	13.609	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:3:1:	N-3:N-3:N-2:	C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CCHH)(CNN)(H)	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	121.1265	13.609	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:3:1:	N-3:N-3:N-2:	C-3:H-1:	N-4:C-3:H-1:	C(NNiN)(NHN)(NH)	N(CNN)(H)	N(NNiHH)(CNN)(H)	C(NNiN)(NHN)(NH)	N(CNN)(H)	N(NNiHH)(CNN)(H)	117.7940	0.000	1	117.7940	0.000	1	117.7980	0.000	2	121.1265	13.609	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:3:1:	N-3:N-3:N-2:	C-3:H-1:	N-4:C-3:H-1:	C(NZnN)(NHN)(NH)	N(CNN)(H)	N(NZnHH)(CNN)(H)	C(NZnN)(NHN)(NH)	N(CNN)(H)	N(NZnHH)(CNN)(H)	117.8020	0.000	1	117.8020	0.000	1	117.7980	0.000	2	121.1265	13.609	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:4:3:	N-3:N-3:N-2:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(NH)	N(CNN)(H)	N(CH3)2(CNN)	C(NCC)(NCH)(NH)	N(CNN)(H)	N(CH3)2(CNN)	120.2230	0.000	1	120.2230	0.000	1	120.4200	0.473	5	120.4200	0.473	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:4:3:	N-3:N-3:N-2:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NHH)(NH)	N(CNN)(H)	N(CCHH)(CH3)(CNN)	C(NCC)(NHH)(NH)	N(CNN)(H)	N(CCHH)(CH3)(CNN)	121.1370	0.000	2	121.1370	0.000	2	120.4200	0.473	5	120.4200	0.473	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:	4:4:3:	N-3:N-3:N-2:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)2(NH)	N(CNN)(H)	N(CH3)2(CNN)	C(NCC)2(NH)	N(CNN)(H)	N(CH3)2(CNN)	119.8015	0.244	2	119.8015	0.060	2	120.4200	0.473	5	120.4200	0.473	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CCH)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CCH)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	123.9325	0.598	2	123.9325	0.357	2	125.2583	1.439	6	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CCN)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CCN)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	124.9650	0.000	1	124.9650	0.000	1	125.2583	1.439	6	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CNN)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CNN)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	126.2400	0.416	3	126.2400	0.173	3	125.2583	1.439	6	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[5]-3:N-3:N-2:	C-3:N-2:	C-3:O-1:O-1:	C(C[5]N[5]2)(NOO)(NN)	N(CC[5]N)(NC[6a])	N(CC[5]N)(O)2	C(C[5]N[5]2)(NOO)(NN)	N(CC[5]N)(NC[6a])	N(CC[5]N)(O)2	120.8835	5.532	2	120.8835	30.600	2	118.4070	33.699	3	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[5]-3:N-3:N-2:	C-3:N-2:	C-3:O-1:O-1:	C(C[5]N[5]S[5])(NOO)(NN)	N(CC[5]N)(NC[6a])	N(CC[5]N)(O)2	C(C[5]N[5]S[5])(NOO)(NN)	N(CC[5]N)(NC[6a])	N(CC[5]N)(O)2	113.4540	0.000	1	113.4540	0.000	1	118.4070	33.699	3	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[5]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5]N[5])(NHH)(NO)	N(CC[5]N)(OH)	N(CC[5]N)(H)2	C(C[5]C[5]N[5])(NHH)(NO)	N(CC[5]N)(OH)	N(CC[5]N)(H)2	126.9605	0.920	2	126.9605	0.846	2	126.9605	0.846	2	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(C[5a]C[5a]2)(NHH)(NN)	N(CC[5a]N)(NC)	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NN)	N(CC[5a]N)(NC)	N(CC[5a]N)(H)2	125.0440	0.000	1	125.0440	0.000	1	126.0910	2.192	2	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NH)	N(CC[5a]N)(H)2	127.1380	0.000	1	127.1380	0.000	1	126.0910	2.192	2	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(NO)	N(CC[5a]N)(OH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NO)	N(CC[5a]N)(OH)	N(CC[5a]N)(H)2	127.1388	0.889	4	127.1388	0.790	4	127.1388	0.790	4	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6]-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(C[6]C[6]N[6])(NHH)(NN)	N(CC[6]N)(NC)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NHH)(NN)	N(CC[6]N)(NC)	N(CC[6]N)(H)2	125.3390	0.854	2	125.3390	0.730	2	125.3390	0.730	2	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6]N[6])(NHH)(NO)	N(CC[6]N)(OH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NHH)(NO)	N(CC[6]N)(OH)	N(CC[6]N)(H)2	125.3447	0.286	3	125.3447	0.082	3	125.3447	0.082	3	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6a]N)(H)2	125.7173	1.234	8	125.7173	1.523	8	125.7311	1.334	9	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NHH)(NN)	N(CC[6a]N)(NC)	N(CC[6a]N)(H)2	125.8420	0.000	1	125.8420	0.000	1	125.7311	1.334	9	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	N(CC[6a]N)(H)2	125.8276	0.675	7	125.8276	0.456	7	124.5626	1.268	34	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	124.0167	0.881	22	124.0167	0.776	22	124.5626	1.268	34	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	125.1232	0.994	4	125.1232	0.987	4	124.5626	1.268	34	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	125.4760	0.000	1	125.4760	0.000	1	124.5626	1.268	34	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	N-3:N-3:N-2:	C-3:C-2:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(NC)	N(CNN)(CN)	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	N(CNN)(CN)	N(CNN)(H)2	124.5200	0.000	1	124.5200	0.000	1	120.4136	11.979	14	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	N-3:N-3:N-2:	C-3:C-2:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)(CN)	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)(CN)	N(CNN)(H)2	120.0978	3.386	13	120.0978	11.464	13	120.4136	11.979	14	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	N-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)2(NN)	N(CNN)(NC)	N(CNN)(H)2	C(NHH)2(NN)	N(CNN)(NC)	N(CNN)(H)2	121.2582	3.907	6	121.2582	15.261	6	120.6759	19.175	8	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	N-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)2(NN)	N(CNN)(NN)	N(CNN)(H)2	C(NHH)2(NN)	N(CNN)(NN)	N(CNN)(H)2	118.9290	7.056	2	118.9290	49.780	2	120.6759	19.175	8	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	N[5a]-3:N-3:N-2:	C-3:C-2:	C-3:H-1:H-1:	C(N[5a]C[5a]N[5a])(NHH)(NC)	N(CN[5a]N)(CN)	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	N(CN[5a]N)(CN)	N(CN[5a]N)(H)2	128.7840	0.000	1	128.7840	0.000	1	128.7840	0.000	1	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:1:1:	N[5a]-3:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	N(CN[5a]N)(NC)	N(CN[5a]N)(H)2	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	N(CN[5a]N)(NC)	N(CN[5a]N)(H)2	129.1910	0.000	1	129.1910	0.000	1	129.1910	0.000	1	123.8654	10.862	89	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	C-3:N-3:N-2:	C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(NO)	N(CCN)(OH)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	N(CCN)(OH)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	125.0160	0.000	1	125.0160	0.000	1	124.0381	1.595	11	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	C-3:N-3:N-2:	C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(NO)	N(CCN)(OH)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	N(CCN)(OH)	N(C[6a]C[6a]2)(CCN)(H)	123.9403	1.287	10	123.9403	1.655	10	124.0381	1.595	11	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NO)	N(CC[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	N(CC[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	N-3:C-3:N-2:	C-3:O-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(NO)	N(CCN)(OH)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCN)(NO)	N(CCN)(OH)	N(C[6a]C[6a]2)(CCN)(H)	123.7470	0.000	1	123.7470	0.000	1	124.0920	0.238	2	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	N-3:C-3:N-2:	C-3:O-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(NO)	N(CCN)(OH)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CHN)(NO)	N(CCN)(OH)	N(C[6a]C[6a]2)(CCN)(H)	124.4370	0.000	1	124.4370	0.000	1	124.0920	0.238	2	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	N-3:N-3:N-2:	C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CNN)(CN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CNN)(CN)	N(C[6a]C[6a]2)(CNN)(H)	122.9170	0.577	3	122.9170	0.332	3	120.8113	17.958	4	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:1:	N-3:N-3:N-2:	C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(NC)	N(CNN)(CN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)(NC)	N(CNN)(CN)	N(C[6a]C[6a]2)(CNN)(H)	114.4940	0.000	1	114.4940	0.000	1	120.8113	17.958	4	123.1887	6.172	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	3:3:2:	C[5a]-3:N-3:N-2:	C-3:N-2:	C[6a]-3:C-3:N-2:	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]N)(NC)	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	4:3:1:	C-3:N-3:N-2:	C-3:O-2:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(NO)	N(CCN)(OH)	N(CC3)(CCN)(H)	C(CC[6a]N)(NCH)(NO)	N(CCN)(OH)	N(CC3)(CCN)(H)	124.7820	0.000	1	124.7820	0.000	1	123.9015	1.551	2	121.6099	8.518	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	4:3:1:	C-3:N-3:N-2:	C-3:O-2:	C-4:C-3:H-1:	C(CHN)(NCH)(NO)	N(CCN)(OH)	N(CC[6a]HH)(CCN)(H)	C(CHN)(NCH)(NO)	N(CCN)(OH)	N(CC[6a]HH)(CCN)(H)	123.0210	0.000	1	123.0210	0.000	1	123.9015	1.551	2	121.6099	8.518	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	4:3:1:	C[5a]-3:N-3:N-2:	C-3:N-2:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(NN)	N(CC[5a]N)(NC)	N(CC[6a]HH)(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NCH)(NN)	N(CC[5a]N)(NC)	N(CC[6a]HH)(CC[5a]N)(H)	124.9580	0.000	1	124.9580	0.000	1	124.9580	0.000	1	121.6099	8.518	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	4:3:1:	N-3:N-3:N-2:	C-3:C-2:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CNN)(CN)	N(CC3)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CNN)(CN)	N(CC3)(CNN)(H)	118.4610	0.000	1	118.4610	0.000	1	118.4200	0.131	3	121.6099	8.518	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	4:3:1:	N-3:N-3:N-2:	C-3:C-2:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CNN)(CN)	N(CCHH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CNN)(CN)	N(CCHH)(CNN)(H)	118.3995	0.510	2	118.3995	0.260	2	118.4200	0.131	3	121.6099	8.518	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:	4:3:1:	N-3:N-3:N-2:	C-3:N-2:	C[6]-4:C-3:H-1:	C(NC[6]H)2(NN)	N(CNN)(NC)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NN)	N(CNN)(NC)	N(C[6]C[6]2H)(CNN)(H)	122.4290	2.058	2	122.4290	4.234	2	122.4290	4.234	2	121.6099	8.518	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(CNS)(NHH)(NN)	N(CCN)(NHH)	N(CCN)(H)2	C(CNS)(NHH)(NN)	N(CCN)(NHH)	N(CCN)(H)2	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[5a]C[5a]2)(NHH)(NN)	N(CC[5a]N)(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NN)	N(CC[5a]N)(NCH)	N(CC[5a]N)(H)2	126.1170	0.000	1	126.1170	0.000	1	126.1170	0.000	1	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NC)	N(CC[6a]N)(CCN)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NC)	N(CC[6a]N)(CCN)	N(CC[6a]N)(H)2	125.4702	0.235	10	125.4702	0.055	10	124.8526	4.245	11	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NC)	N(CC[6a]N)2	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NC)	N(CC[6a]N)2	N(CC[6a]N)(H)2	118.6770	0.000	1	118.6770	0.000	1	124.8526	4.245	11	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NN)	N(CC[6a]N)(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	N(CC[6a]N)(NCH)	N(CC[6a]N)(H)2	125.8775	0.531	2	125.8775	0.282	2	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NN)	N(CC[6a]N)(NNO)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	N(CC[6a]N)(NNO)	N(CC[6a]N)(H)2	128.3700	0.000	1	128.3700	0.000	1	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NCC)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NCC)	N(CC[6a]N)(H)2	128.5480	1.163	3	128.5480	1.352	3	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NCH)	N(CC[6a]N)(H)2	127.9180	0.000	1	127.9180	0.000	1	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(H)2	126.2430	0.000	1	126.2430	0.000	1	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NHH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NHH)	N(CC[6a]N)(H)2	126.7805	0.247	2	126.7805	0.061	2	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NMnC)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NMnC)	N(CC[6a]N)(H)2	125.3055	0.313	2	125.3055	0.098	2	127.0085	1.999	12	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(NOO)(NN)	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(O)2	C(C[6a]C[6a]2)(NOO)(NN)	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(O)2	117.6035	8.277	2	117.6035	68.504	2	117.6035	68.504	2	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(NC)	N(CC[6a]N[5])(CNN)	N(CNN)(H)2	C(NCC)(NHH)(NC)	N(CC[6a]N[5])(CNN)	N(CNN)(H)2	118.7470	0.000	1	118.7470	0.000	1	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NCC)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	121.6287	2.486	19	121.6287	6.179	19	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CCO)(CNN)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CCO)(CNN)	N(CNN)(H)2	116.7670	0.000	1	116.7670	0.000	1	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)	N(CNN)(H)2	119.5123	0.510	3	119.5123	0.260	3	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)	N(CNN)(H)2	117.5530	0.000	1	117.5530	0.000	1	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CNN)(COO)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CNN)(COO)	N(CNN)(H)2	127.9160	0.000	1	127.9160	0.000	1	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]C)(NHH)(NC)	N(CNN)(COO)	N(CNN)(H)2	C(NC[6a]C)(NHH)(NC)	N(CNN)(COO)	N(CNN)(H)2	125.5450	0.000	1	125.5450	0.000	1	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(NC)	N(CC[5]O)(CNN)	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	N(CC[5]O)(CNN)	N(CNN)(H)2	125.9780	0.000	1	125.9780	0.000	1	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	123.9520	3.172	21	123.9520	10.059	21	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCuH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NCuH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	113.6385	0.131	4	113.6385	0.017	4	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CC[5a]O)(CNN)	N(CNN)(H)2	C(NHH)2(NC)	N(CC[5a]O)(CNN)	N(CNN)(H)2	119.3540	0.563	2	119.3540	0.317	2	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)(CNS)	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)(CNS)	N(CNN)(H)2	120.2373	4.541	6	120.2373	20.621	6	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)2	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)2	N(CNN)(H)2	121.0400	3.806	103	121.0400	14.488	103	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CN[5]N)(CNN)	N(CNN)(H)2	C(NHH)2(NC)	N(CN[5]N)(CNN)	N(CNN)(H)2	121.4260	6.795	2	121.4260	46.176	2	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CN[5a]N)(CNN)	N(CNN)(H)2	C(NHH)2(NC)	N(CN[5a]N)(CNN)	N(CNN)(H)2	119.7255	2.582	2	119.7255	6.665	2	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CN[6]N)(CNN)	N(CNN)(H)2	C(NHH)2(NC)	N(CN[6]N)(CNN)	N(CNN)(H)2	120.9860	6.160	2	120.9860	37.949	2	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NNiH)(NHH)(NC)	N(CNN)(CNO)	N(CNN)(H)2	C(NNiH)(NHH)(NC)	N(CNN)(CNO)	N(CNN)(H)2	113.5090	0.106	2	113.5090	0.011	2	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NNiH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NNiH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	114.3480	0.640	3	114.3480	0.410	3	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NPdH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NPdH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	113.6830	0.075	2	113.6830	0.006	2	120.9519	16.433	177	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NCH)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NCH)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	122.4303	8.802	3	122.4303	77.469	3	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NCN)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NCN)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	129.0530	0.542	2	129.0530	0.293	2	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NCO)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NCO)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	129.4500	0.000	1	129.4500	0.000	1	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NC[5]H)(NHH)(NN)	N(CNN)(NOO)	N(CNN)(H)2	128.5105	0.218	2	128.5105	0.048	2	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NHH)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(CNN)(NHH)	N(CNN)(H)2	121.4090	0.000	1	121.4090	0.000	1	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(CNN)(H)2	130.1334	0.773	5	130.1334	0.597	5	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(NHH)2(NN)	N(CNN)(NHH)	N(CNN)(H)2	C(NHH)2(NN)	N(CNN)(NHH)	N(CNN)(H)2	119.9282	1.007	4	119.9282	1.015	4	125.7587	29.118	18	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N[5a]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(N[5a]C[5a]N[5a])(NHH)(NC)	N(CN[5a]N)(CNN)	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	N(CN[5a]N)(CNN)	N(CN[5a]N)(H)2	129.1380	0.000	1	129.1380	0.000	1	129.0720	0.156	3	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N[5a]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(N[5a]C[5a]N[5a])(NHH)(NC)	N(CN[5a]N)2	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	N(CN[5a]N)2	N(CN[5a]N)(H)2	129.0390	0.553	2	129.0390	0.306	2	129.0720	0.156	3	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N[5a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(NHH)(NN)	N(CN[5a]N)(NHH)	N(CN[5a]N)(H)2	C(N[5a]C[5a,6a]C[5a])(NHH)(NN)	N(CN[5a]N)(NHH)	N(CN[5a]N)(H)2	129.0230	0.000	1	129.0230	0.000	1	129.0230	0.000	1	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	N[6]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NC)	N(CN[6]N)(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	N(CN[6]N)(CNN)	N(CN[6]N)(H)2	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	S-3:N-3:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(SNi2)(NHH)(NN)	N(NNiC)(CNS)	N(CNS)(H)2	C(SNi2)(NHH)(NN)	N(NNiC)(CNS)	N(CNS)(H)2	117.5180	0.099	2	117.5180	0.010	2	117.7937	0.934	10	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	S-3:N-3:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(SPd2)(NHH)(NN)	N(NPdC)(CNS)	N(CNS)(H)2	C(SPd2)(NHH)(NN)	N(NPdC)(CNS)	N(CNS)(H)2	118.6028	0.955	4	118.6028	0.912	4	117.7937	0.934	10	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:1:1:	S-3:N-3:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(SPt2)(NHH)(NN)	N(NPtC)(CNS)	N(CNS)(H)2	C(SPt2)(NHH)(NN)	N(NPtC)(CNS)	N(CNS)(H)2	117.1225	0.603	4	117.1225	0.364	4	117.7937	0.934	10	121.8099	20.307	237	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:2:1:	N-3:N-3:N-2:	N-3:C-3:	C-3:N-2:H-1:	C(NPdN)(NHN)(NN)	N(NPdC)(CNN)	N(CNN)(NC)(H)	C(NPdN)(NHN)(NN)	N(NPdC)(CNN)	N(CNN)(NC)(H)	117.5410	0.000	1	117.5410	0.000	1	117.5410	0.000	1	117.5410	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:2:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:As-2:C-3:	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(AsCl)(CNN)	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(AsCl)(CNN)	104.8150	0.000	1	104.8150	0.000	1	105.4105	0.709	2	105.4105	0.709	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:2:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:As-2:C-3:	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(AsN[6])(CNN)	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(AsN[6])(CNN)	106.0060	0.000	1	106.0060	0.000	1	105.4105	0.709	2	105.4105	0.709	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC[3]N)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC[3]N)	N(CC[6a]N)(CC[6a]O)(H)	122.8315	0.595	2	122.8315	0.354	2	122.7350	0.476	4	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)2	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)2	N(CC[6a]N)(CC[6a]O)(H)	122.6385	1.019	2	122.6385	1.038	2	122.7350	0.476	4	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(NC)	N(CC[6a]N)(CNS)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(NC)	N(CC[6a]N)(CNS)	N(CC[6a]N)(NCH)(H)	127.4230	0.000	1	127.4230	0.000	1	127.4230	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]N)(H)	124.2820	0.000	1	124.2820	0.000	1	121.5863	5.690	9	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)(CNN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	119.8730	0.000	1	119.8730	0.000	1	121.5863	5.690	9	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)(CNS)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)(CNS)	N(C[6a]C[6a]2)(CC[6a]N)(H)	121.1810	2.539	6	121.1810	6.447	6	121.5863	5.690	9	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)2	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(CC[6a]N)2	N(C[6a]C[6a]2)(CC[6a]N)(H)	123.0360	0.000	1	123.0360	0.000	1	121.5863	5.690	9	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	N(CC[6a]N)(NCH)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	N(CC[6a]N)(NCH)	N(C[6]C[6]N[6])(CC[6a]N)(H)	125.0510	0.000	1	125.0510	0.000	1	125.0510	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NN)	N(CC[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	N(CC[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]N)(H)	123.1660	0.000	1	123.1660	0.000	1	132.1199	14.155	8	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	133.3990	1.115	7	133.3990	1.243	7	132.1199	14.155	8	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(H)	124.2880	0.000	1	124.2880	0.000	1	124.3385	0.005	2	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(H)	124.3890	0.000	1	124.3890	0.000	1	124.3385	0.005	2	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(H)	121.9918	1.275	10	121.9918	1.627	10	121.9918	1.627	10	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)	N(CC[5]O)(CNN)(H)	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)	N(CC[5]O)(CNN)(H)	122.0820	0.956	3	122.0820	0.914	3	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]O)(CNN)(H)	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]O)(CNN)(H)	128.8070	0.000	1	128.8070	0.000	1	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(NC)	N(CNN)(COO)	N(CCO)(CNN)(H)	C(NCH)(NHH)(NC)	N(CNN)(COO)	N(CCO)(CNN)(H)	113.9460	0.000	1	113.9460	0.000	1	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)2(NC)	N(CC[6a]O)(CNN)	N(CNN)(COO)(H)	C(NCH)2(NC)	N(CC[6a]O)(CNN)	N(CNN)(COO)(H)	122.1340	0.000	1	122.1340	0.000	1	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)2(NC)	N(CNN)(COO)	N(CC[5]O)(CNN)(H)	C(NCH)2(NC)	N(CNN)(COO)	N(CC[5]O)(CNN)(H)	124.2480	0.000	1	124.2480	0.000	1	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NCH)2(NC)	N(CNN)(COO)	N(CNN)(COO)(H)	C(NCH)2(NC)	N(CNN)(COO)	N(CNN)(COO)(H)	122.8895	0.517	2	122.8895	0.267	2	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CNN)(COO)	N(CNN)(COO)(H)	C(NC[6a]H)(NCH)(NC)	N(CNN)(COO)	N(CNN)(COO)(H)	122.9685	0.543	4	122.9685	0.295	4	122.5411	10.067	13	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Al)(NC[6a]H)(NC)	N(CNN)2	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Al)(NC[6a]H)(NC)	N(CNN)2	N(C[6a]C[6a]2)(CNN)(H)	114.1155	0.534	2	114.1155	0.285	2	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	123.9930	0.885	2	123.9930	0.784	2	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	124.0342	1.686	5	124.0342	2.844	5	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CNN)(COO)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CNN)(COO)	N(C[6a]C[6a]2)(CNN)(H)	120.6893	1.537	3	120.6893	2.362	3	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CNN)(COO)	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CNN)(COO)	N(C[6a]C[6a]N[6a])(CNN)(H)	120.5880	0.000	1	120.5880	0.000	1	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(NC)	N(CC[5]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)(NC)	N(CC[5]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	118.4680	0.000	1	118.4680	0.000	1	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(NC)	N(CNN)2	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)(NC)	N(CNN)2	N(C[6a]C[6a]2)(CNN)(H)	119.6373	2.416	22	119.6373	5.837	22	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NNiH)(NC)	N(CNN)2	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NNiH)(NC)	N(CNN)2	N(C[6a]C[6a]2)(CNN)(H)	112.7653	0.729	3	112.7653	0.531	3	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC)	N(CC[5a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC)	N(CC[5a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	121.4670	5.554	2	121.4670	30.843	2	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC)	N(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	122.2235	6.216	2	122.2235	38.641	2	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Pt)(NC[6a]H)(NC)	N(CCN)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)(NC)	N(CCN)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	115.4875	0.681	2	115.4875	0.464	2	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Pt)(NC[6a]H)(NC)	N(CC[6a]N)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)(NC)	N(CC[6a]N)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	114.6880	0.000	1	114.6880	0.000	1	119.5842	14.055	46	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:N-3:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NHH)	N(CNN)(NHH)(H)	C(NHH)(NHN)(NN)	N(CNN)(NHH)	N(CNN)(NHH)(H)	118.2230	0.000	1	118.2230	0.000	1	115.2916	32.009	5	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:N-3:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(CNN)(NCH)(H)	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(CNN)(NCH)(H)	111.0630	0.000	1	111.0630	0.000	1	115.2916	32.009	5	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:N-3:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(CNN)(NOO)(H)	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(CNN)(NOO)(H)	107.5190	0.000	1	107.5190	0.000	1	115.2916	32.009	5	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-3:N-3:H-1:	C(NHN)2(NN)	N(CNN)(NHH)	N(CNN)(NHH)(H)	C(NHN)2(NN)	N(CNN)(NHH)	N(CNN)(NHH)(H)	119.8265	0.135	2	119.8265	0.018	2	115.2916	32.009	5	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C-3:N-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(NHH)(NN)	N(CNN)(NOO)	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NHH)(NN)	N(CNN)(NOO)	N(C[5]N[5]2)(CNN)(H)	111.0355	0.177	2	111.0355	0.032	2	111.0355	0.032	2	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[5a])	N(C[5a]N[5a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[5a])	N(C[5a]N[5a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	121.6565	4.137	2	121.6565	17.117	2	121.6565	17.117	2	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	131.4270	0.000	1	131.4270	0.000	1	124.2412	14.247	18	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	124.9160	0.000	1	124.9160	0.000	1	124.2412	14.247	18	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	122.7604	2.426	14	122.7604	5.886	14	124.2412	14.247	18	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	130.6765	0.255	2	130.6765	0.065	2	124.2412	14.247	18	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(H)	123.2610	0.000	1	123.2610	0.000	1	122.3850	1.535	2	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(H)	121.5090	0.000	1	121.5090	0.000	1	122.3850	1.535	2	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:In-1:	C(NC[6a]In)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(In)	C(NC[6a]In)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(CNP)(In)	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:S-3:N-2:	N-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SRe2)(NN)	N(NReC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SRe2)(NN)	N(NReC)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	120.7820	1.023	3	120.7820	1.046	3	120.7820	1.046	3	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[5]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5]N)	N(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5]N)	N(C[6a]C[6a]2)(CN[5]N)(H)	123.6050	0.000	1	123.6050	0.000	1	123.6050	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[5a]-3:N-3:N-2:	C-3:C-3:	C-3:C-3:H-1:	C(N[5a]C[5a]N[5a])(NCH)(NC)	N(CN[5a]N)(CCO)	N(CN[5a]N)(COO)(H)	C(N[5a]C[5a]N[5a])(NCH)(NC)	N(CN[5a]N)(CCO)	N(CN[5a]N)(COO)(H)	128.6930	0.000	1	128.6930	0.000	1	128.6930	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[5a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	N(CC[6a]O)(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	N(CC[6a]O)(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	127.2670	0.000	1	127.2670	0.000	1	127.2670	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[5a]-3:N-3:N-2:	C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	133.1800	0.000	1	133.1800	0.000	1	133.1800	0.000	1	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[5a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	124.6640	0.673	3	124.6640	0.453	3	124.8756	0.283	7	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[5a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N)(H)	125.0343	0.430	4	125.0343	0.185	4	124.8756	0.283	7	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:1:	N[6]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	N(C[6a]C[6a]2)(CN[6]N)(H)	124.5106	0.521	5	124.5106	0.271	5	124.5106	0.271	5	122.2204	23.104	144	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC)	N(CC[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(NC)	N(CC[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	123.5990	0.000	1	123.5990	0.000	1	123.5990	0.000	1	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(NC)	N(CC[6a]N)(CNO)	N(C[6a]C[6a]2)2(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	N(CC[6a]N)(CNO)	N(C[6a]C[6a]2)2(CC[6a]N)	121.3877	4.587	3	121.3877	21.041	3	121.3877	21.041	3	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	N(C[6]C[6]2)(CC[6a]N)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	N(C[6]C[6]2)(CC[6a]N)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	123.2060	0.000	1	123.2060	0.000	1	123.2060	0.000	1	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	118.1570	0.000	1	118.1570	0.000	1	120.7320	4.261	4	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	122.5050	0.000	1	122.5050	0.000	1	120.7320	4.261	4	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	121.1330	1.639	2	121.1330	2.687	2	120.7320	4.261	4	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)2(NC)	N(CCN)(CNN)	N(C[6a]C[6a]2)(CNN)2	C(NC[6a]C)2(NC)	N(CCN)(CNN)	N(C[6a]C[6a]2)(CNN)2	121.9965	3.153	2	121.9965	9.941	2	121.9965	9.941	2	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]Al)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)2	C(NC[6a]Al)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)2	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	N-3:P-3:N-2:	C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	125.7130	0.000	1	125.7130	0.000	1	125.7130	0.000	1	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:3:	N[6]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	123.4250	0.325	4	123.4250	0.106	4	123.4250	0.106	4	121.6450	10.107	18	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC[6a]O)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC[6a]O)	N(CC[6a]N)(CC3)(H)	120.6100	0.000	1	120.6100	0.000	1	120.6100	0.000	1	120.6100	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:3:	C-3:N-3:N-2:	C-3:C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]H)(NC[6a]S)(NC)	N(CC[6a]H)(CCN)	N(C[6a]C[6a]2)(SCOO)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	N(CC[6a]H)(CCN)	N(C[6a]C[6a]2)(SCOO)(CCN)	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	118.2865	20.449	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:3:	N-3:N-3:N-2:	C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NHH)(NC)	N(CNN)(COO)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)(NHH)(NC)	N(CNN)(COO)	N(C[6a]C[6a]2)(CH3)(CNN)	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	118.2865	20.449	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CCHH)(CNN)	C(NC[6a]C)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CCHH)(CNN)	122.7580	5.619	2	122.7580	31.569	2	122.7580	31.569	2	118.2865	20.449	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:Si-4:C-3:	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(SiC3)(CNN)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(SiC3)(CNN)	116.5265	0.213	2	116.5265	0.045	2	116.5265	0.045	2	118.2865	20.449	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NN)	N(CC[6a]N)(NNO)	N(CC[6a]N)(CH3)2	C(C[6a]C[6a]2)(NCC)(NN)	N(CC[6a]N)(NNO)	N(CC[6a]N)(CH3)2	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	121.2297	24.075	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C-3:P-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NP)	N(CC[6a]N)(PCC)	N(CC[6a]N)(CCCH)2	C(C[6a]C[6a]2)(NCC)(NP)	N(CC[6a]N)(PCC)	N(CC[6a]N)(CCCH)2	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	121.2297	24.075	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	3:4:4:	C[6a]-3:N-3:N-2:	C-3:P-3:	C-3:Si-4:Si-4:	C(C[6a]C[6a]2)(NSi2)(NP)	N(CC[6a]N)(PC[6a]2)	N(CC[6a]N)(SiC3)2	C(C[6a]C[6a]2)(NSi2)(NP)	N(CC[6a]N)(PC[6a]2)	N(CC[6a]N)(SiC3)2	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	121.2297	24.075	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	C[6a]-3:N-3:N-2:	C-3:C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	N(CC[6a]N)(CC[6a]O)	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	N(CC[6a]N)(CC[6a]O)	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(NC)	N(CCO)(CNN)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NC)	N(CCO)(CNN)	N(CCHH)(CNN)(H)	124.1030	0.000	1	124.1030	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CC[6a]O)(CNN)	N(CH3)(CNN)(H)	C(NCH)2(NC)	N(CC[6a]O)(CNN)	N(CH3)(CNN)(H)	118.8650	0.000	1	118.8650	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CNN)(COO)	N(CCCH)(CNN)(H)	C(NCH)2(NC)	N(CNN)(COO)	N(CCCH)(CNN)(H)	119.2370	0.000	1	119.2370	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CNN)(COO)	N(CC[6a]HH)(CNN)(H)	C(NCH)2(NC)	N(CNN)(COO)	N(CC[6a]HH)(CNN)(H)	119.2520	0.000	1	119.2520	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CNN)(COO)	N(CH3)(CNN)(H)	C(NCH)2(NC)	N(CNN)(COO)	N(CH3)(CNN)(H)	119.3270	0.000	1	119.3270	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NC[6a]Cu)(NCH)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]HH)(CNN)(H)	C(NC[6a]Cu)(NCH)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]HH)(CNN)(H)	113.1310	0.000	1	113.1310	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	N(CC3)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	N(CC3)(CNN)(H)	119.2320	0.000	1	119.2320	0.000	1	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]HH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]HH)(CNN)(H)	117.3208	0.418	4	117.3208	0.175	4	118.4027	6.866	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-4:C-3:H-1:	C(NCH)(NHH)(NN)	N(CNN)(NOO)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NN)	N(CNN)(NOO)	N(CCHH)(CNN)(H)	117.1123	8.701	3	117.1123	75.702	3	118.4885	48.483	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-4:C-3:H-1:	C(NCH)2(NN)	N(CNN)(NOO)	N(CCCH)(CNN)(H)	C(NCH)2(NN)	N(CNN)(NOO)	N(CCCH)(CNN)(H)	125.3702	0.535	4	125.3702	0.286	4	118.4885	48.483	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:N-3:	C-4:C-3:H-1:	C(NCH)2(NN)	N(CNN)(NOO)	N(CCHH)(CNN)(H)	C(NCH)2(NN)	N(CNN)(NOO)	N(CCHH)(CNN)(H)	112.6390	0.444	4	112.6390	0.197	4	118.4885	48.483	11	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:N-3:	N-4:C-3:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(NH3)(CNN)(H)	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(NH3)(CNN)(H)	113.1995	0.240	2	113.1995	0.057	2	113.1995	0.057	2	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[5]C[5]2Fe)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[5]C[5]2Fe)(CNN)(H)	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)(CNN)(H)	122.1520	3.585	2	122.1520	12.852	2	122.1520	12.852	2	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	P-3:N-3:N-2:	C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(PC[6a]2)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[5]C[5]2H)(CNP)(H)	C(PC[6a]2)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[5]C[5]2H)(CNP)(H)	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	S-3:N-3:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(SPd2)(NCH)(NN)	N(NPdC)(CNS)	N(CCHH)(CNS)(H)	C(SPd2)(NCH)(NN)	N(NPdC)(CNS)	N(CCHH)(CNS)(H)	120.1980	0.000	1	120.1980	0.000	1	118.7926	1.732	10	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	S-3:N-3:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(SPd2)(NCH)(NN)	N(NPdC)(CNS)	N(CH3)(CNS)(H)	C(SPd2)(NCH)(NN)	N(NPdC)(CNS)	N(CH3)(CNS)(H)	120.1425	0.220	2	120.1425	0.048	2	118.7926	1.732	10	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	S-3:N-3:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(SRe2)(NCH)(NN)	N(NReC)(CNS)	N(CCHH)(CNS)(H)	C(SRe2)(NCH)(NN)	N(NReC)(CNS)	N(CCHH)(CNS)(H)	117.9815	1.473	4	117.9815	2.169	4	118.7926	1.732	10	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	S-3:N-3:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(SRe2)(NCH)(NN)	N(NReC)(CNS)	N(CH3)(CNS)(H)	C(SRe2)(NCH)(NN)	N(NReC)(CNS)	N(CH3)(CNS)(H)	118.8280	0.000	1	118.8280	0.000	1	118.7926	1.732	10	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	S-3:N-3:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(SZn2)(NCH)(NN)	N(NZnC)(CNS)	N(CCCH)(CNS)(H)	C(SZn2)(NCH)(NN)	N(NZnC)(CNS)	N(CCCH)(CNS)(H)	117.9090	0.000	1	117.9090	0.000	1	118.7926	1.732	10	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:1:	S-3:N-3:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(SZn2)(NCH)(NN)	N(NZnC)(CNS)	N(CH3)(CNS)(H)	C(SZn2)(NCH)(NN)	N(NZnC)(CNS)	N(CH3)(CNS)(H)	118.7800	0.000	1	118.7800	0.000	1	118.7926	1.732	10	118.6308	17.898	39	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:2:	N-3:N-3:N-2:	C-3:N-3:	C-4:C-3:N-2:	C(NCN)(NHH)(NN)	N(CNN)(NOO)	N(CC[6a]HH)(CNN)(NC)	C(NCN)(NHH)(NN)	N(CNN)(NOO)	N(CC[6a]HH)(CNN)(NC)	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:3:	N-3:N-3:N-2:	C-3:N-3:	C-4:C-3:N-3:	C(NCN)(NHH)(NN)	N(CNN)(NOO)	N(CH3)(CNN)(NOO)	C(NCN)(NHH)(NN)	N(CNN)(NOO)	N(CH3)(CNN)(NOO)	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	115.4290	62.630	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:3:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(NC[6]Al)(NC[6]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)(CNN)2	C(NC[6]Al)(NC[6]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)(CNN)2	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	115.4290	62.630	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(CCN)(NCC)(NC)	N(CCN)2	N(CH3)2(CCN)	C(CCN)(NCC)(NC)	N(CCN)2	N(CH3)2(CCN)	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:N-2:	S-3:C-3:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(NS)	N(SC[6a]O)(CCN)	N(CH3)2(CCN)	C(CC[6a]O)(NCC)(NS)	N(SC[6a]O)(CCN)	N(CH3)2(CCN)	120.8910	0.160	2	120.8910	0.026	2	120.8910	0.026	2	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NHH)(NC)	N(CC[6a]N[5])(CNN)	N(CH3)2(CNN)	C(NCC)(NHH)(NC)	N(CC[6a]N[5])(CNN)	N(CH3)2(CNN)	117.4260	0.000	1	117.4260	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(NHH)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NCC)(NHH)(NC)	N(CNN)2	N(CH3)2(CNN)	119.0156	1.640	20	119.0156	2.691	20	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CCN)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CCN)(CNN)	N(CH3)2(CNN)	121.5185	4.670	2	121.5185	21.813	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CCO)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CCO)(CNN)	N(CH3)2(CNN)	120.8660	3.178	2	120.8660	10.098	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CC[6a]N)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CC[6a]N)(CNN)	N(CH3)2(CNN)	121.0000	3.459	2	121.0000	11.966	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CNN)(CNO)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CNN)(CNO)	N(CH3)2(CNN)	118.2080	0.000	1	118.2080	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CNN)(CNS)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CNN)(CNS)	N(CH3)2(CNN)	120.1735	3.095	2	120.1735	9.579	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Co)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a]Co)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.4555	0.769	2	114.4555	0.591	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Cu)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a]Cu)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	112.4670	0.000	1	112.4670	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Fe)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a]Fe)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.6510	1.097	2	114.6510	1.204	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	N(CCHH)2(CNN)	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	N(CCHH)2(CNN)	118.1360	0.000	1	118.1360	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]HH)(CH3)(CNN)	C(NC[6a]H)(NCC)(NC)	N(CC[6a]O)(CNN)	N(CC[6a]HH)(CH3)(CNN)	119.5310	0.000	1	119.5310	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Mn)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a]Mn)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.1680	0.236	2	114.1680	0.056	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Ni)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a]Ni)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	115.3450	0.000	1	115.3450	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCoSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NCoSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	113.7477	0.473	3	113.7477	0.224	3	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCuH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NCuH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.0490	0.873	4	114.0490	0.763	4	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCuSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NCuSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	111.0510	0.000	1	111.0510	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NFeSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NFeSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.6800	0.000	1	114.6800	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NIrH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NIrH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.2060	0.000	1	114.2060	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NMnSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NMnSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	113.3880	0.000	1	113.3880	0.000	1	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NNiH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NNiH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	115.4470	1.259	2	115.4470	1.584	2	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NPtH)(NCC)(NC)	N(CC[6a]N)(CNN)	N(CCHH)2(CNN)	C(NPtH)(NCC)(NC)	N(CC[6a]N)(CNN)	N(CCHH)2(CNN)	115.0142	1.953	5	115.0142	3.816	5	117.1003	9.736	58	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C[6]-3:C-3:	C[6]-4:Si-4:C-3:	C(NC[6]Al)(NC[6]Si)(NC[6])	N(C[6]C[6]N[6])(CNN)	N(C[6]C[6]2H)(SiC3)(CNN)	C(NC[6]Al)(NC[6]Si)(NC[6])	N(C[6]C[6]N[6])(CNN)	N(C[6]C[6]2H)(SiC3)(CNN)	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)2(CNN)	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6]C[6]2H)2(CNN)	128.3860	0.000	1	128.3860	0.000	1	128.3860	0.000	1	117.3722	11.494	63	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:	5:3:3:	N-3:C[6a]-3:N-2:	C[6a]-3:C-3:	Si[3,3]-5:C[6a]-3:C-3:	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:N-4:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NH3)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NH3)	N(CC[5a]N)(H)2	129.6597	0.567	3	129.6597	0.322	3	129.6597	0.322	3	129.6597	0.322	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:Si-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(SiCrN)(CCCH)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(SiCrN)(CCCH)	109.2730	0.593	2	109.2730	0.351	2	109.2837	0.192	4	109.2837	0.192	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:Si-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(SiMoN)(CCCH)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(SiMoN)(CCCH)	109.2945	0.473	2	109.2945	0.224	2	109.2837	0.192	4	109.2837	0.192	4	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(H)	120.1280	0.055	2	120.1280	0.003	2	120.1280	0.003	2	122.2288	2.970	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:Si-4:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(NSiH)(NSi)	N(CC[6a]N)(SiC3)	N(CC[6a]N)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(NSi)	N(CC[6a]N)(SiC3)	N(CC[6a]N)(SiC3)(H)	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.2288	2.970	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:4:1:	N[5a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(N[5a]C[5a]2)(NCH)(NC)	N(CN[5a]N)(CCCH)	N(CN[5a]N)(CCCH)(H)	C(N[5a]C[5a]2)(NCH)(NC)	N(CN[5a]N)(CCCH)	N(CN[5a]N)(CCCH)(H)	123.4973	0.720	3	123.4973	0.518	3	123.4973	0.518	3	122.2288	2.970	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:4:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(CH3)	119.5290	0.228	2	119.5290	0.052	2	119.5290	0.052	2	119.5817	0.034	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	3:4:4:	C[6a]-3:N-3:N-2:	C-3:P-4:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NP)	N(CC[6a]N)(PRuCC)	N(CC[6a]N)(CCCH)2	C(C[6a]C[6a]2)(NCC)(NP)	N(CC[6a]N)(PRuCC)	N(CC[6a]N)(CCCH)2	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	119.5817	0.034	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Ge-4:C-3:C-4:	C(C[6a]C[6a]2)(NGeC)(NC)	N(CC[6a]N)(CC3)	N(GeC[6a]FN)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NGeC)(NC)	N(CC[6a]N)(CC3)	N(GeC[6a]FN)(CC[6a]N)(CC3)	110.0510	0.277	2	110.0510	0.077	2	110.0510	0.077	2	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[5]Cl2)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[5]Cl2)(CC[6a]N)(CC3)	116.1900	0.000	1	116.1900	0.000	1	111.7825	16.432	6	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[6a]FN)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[6a]FN)(CC[6a]N)(CC3)	109.5420	3.777	2	109.5420	14.268	2	111.7825	16.432	6	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[6a]SiF)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[6a]SiF)(CC[6a]N)(CC3)	107.1990	0.000	1	107.1990	0.000	1	111.7825	16.432	6	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si-4:C-3:C-4:	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[6a]SiN)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSiC)(NC)	N(CC[6a]N)(CC3)	N(SiC[6a]SiN)(CC[6a]N)(CC3)	114.1110	2.564	2	114.1110	6.574	2	111.7825	16.432	6	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4,5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	111.5380	0.000	1	111.5380	0.000	1	114.4420	16.866	2	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4,5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	117.3460	0.000	1	117.3460	0.000	1	114.4420	16.866	2	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	108.3020	0.000	1	108.3020	0.000	1	110.8005	26.606	4	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	108.3650	0.000	1	108.3650	0.000	1	110.8005	26.606	4	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	108.0010	0.000	1	108.0010	0.000	1	110.8005	26.606	4	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	118.5340	0.000	1	118.5340	0.000	1	110.8005	26.606	4	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[5]C)(NC)	N(CC[6a]N)(CCCH)	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[5]C)(NC)	N(CC[6a]N)(CCCH)	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	116.9363	1.030	4	116.9363	1.062	4	116.9363	1.062	4	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[6]C)(NC)	N(CC[6a]N)(CC3)	N(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[6]C)(NC)	N(CC[6a]N)(CC3)	N(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	113.0674	17.525	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:	5:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4,5]-5:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CCCH)	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CCCH)	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	C[5a]-3:N-3:N-2:	S-4:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]2)(NHH)(NS)	N(SC[6a]OO)(CC[5a]N)	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NS)	N(SC[6a]OO)(CC[5a]N)	N(CC[5a]N)(H)2	127.3430	0.000	1	127.3430	0.000	1	127.4300	0.015	2	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	C[5a]-3:N-3:N-2:	S-4:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(NS)	N(SC[6a]OO)(CC[5a]N)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NS)	N(SC[6a]OO)(CC[5a]N)	N(CC[5a]N)(H)2	127.5170	0.000	1	127.5170	0.000	1	127.4300	0.015	2	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	C[6a]-3:N-3:N-2:	S-4:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NS)	N(SC[6a]OO)(CC[6a]N)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NS)	N(SC[6a]OO)(CC[6a]N)	N(CC[6a]N)(H)2	126.3600	0.000	1	126.3600	0.000	1	126.3600	0.000	1	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CCHH)(CNN)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CCHH)(CNN)	N(CNN)(H)2	123.9030	0.000	1	123.9030	0.000	1	121.6260	5.452	3	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CCHH)(CNN)	N(CNN)(H)2	C(NHH)2(NC)	N(CCHH)(CNN)	N(CNN)(H)2	120.4875	1.768	2	120.4875	3.128	2	121.6260	5.452	3	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	N-3:N-3:N-2:	N-4:C-3:	C-3:H-1:H-1:	C(NHH)2(NN)	N(NH3)(CNN)	N(CNN)(H)2	C(NHH)2(NN)	N(NH3)(CNN)	N(CNN)(H)2	117.4900	0.000	1	117.4900	0.000	1	118.0875	0.714	2	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	N-3:N-3:N-2:	N-4:C-3:	C-3:H-1:H-1:	C(NNiN)(NHH)(NN)	N(NNiHH)(CNN)	N(CNN)(H)2	C(NNiN)(NHH)(NN)	N(NNiHH)(CNN)	N(CNN)(H)2	118.6850	0.000	1	118.6850	0.000	1	118.0875	0.714	2	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:1:1:	N-3:N-3:N-2:	S-4:C-3:	C-3:H-1:H-1:	C(NHH)2(NS)	N(SC[6a]OO)(CNN)	N(CNN)(H)2	C(NHH)2(NS)	N(SC[6a]OO)(CNN)	N(CNN)(H)2	120.9146	4.839	14	120.9146	23.414	14	120.9146	23.414	14	121.5945	20.853	22	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	C-3:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]P)(NC[6a]H)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]P)(NC[6a]H)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	121.3230	0.124	2	121.3230	0.015	2	121.3230	0.015	2	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	C[5a]-3:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	N(SC[6a]OO)(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	N(SC[6a]OO)(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N)(H)	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	C[6]-3:N-3:N-2:	C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(NC[6])	N(C[6]C[6]2Mo)(CC[6]N)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NC[6])	N(C[6]C[6]2Mo)(CC[6]N)	N(C[6a]C[6a]2)(CC[6]N)(H)	123.3590	0.000	1	123.3590	0.000	1	123.3590	0.000	1	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	N-3:C-3:N-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCC)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	121.4860	3.280	5	121.4860	10.760	5	121.4860	10.760	5	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:N-2:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(NC)	N(CCHH)(CNN)	N(CNN)2(H)	C(NCH)(NHH)(NC)	N(CCHH)(CNN)	N(CNN)2(H)	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]C)(NC[6a]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	119.1930	0.000	1	119.1930	0.000	1	121.1130	26.283	5	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NS)	N(SC[6a]OO)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NS)	N(SC[6a]OO)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	121.5930	5.789	4	121.5930	33.508	4	121.1130	26.283	5	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:1:	N-3:S-3:N-2:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu2)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu2)(NP)	N(POOS)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	119.5845	1.088	2	119.5845	1.184	2	119.5845	1.184	2	120.8902	10.983	17	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:3:	C-3:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]P)(NC[6a]C)(NS)	N(SCOO)(CCN)	N(C[6a]C[6a]2)(CCN)2	C(CC[6a]P)(NC[6a]C)(NS)	N(SCOO)(CCN)	N(C[6a]C[6a]2)(CCN)2	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	122.2810	17.999	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:3:	N-3:N-3:N-2:	C-4:C-3:	C[6a]-3:N-3:C-3:	C(NC[6a]N)(NCH)(NC)	N(CCCH)(CNN)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	C(NC[6a]N)(NCH)(NC)	N(CCCH)(CNN)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	122.2810	17.999	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:3:3:	N-3:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C(NC[6a]C)(NC[6a]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	126.6570	0.000	1	126.6570	0.000	1	126.6570	0.000	1	122.2810	17.999	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:1:	C[6a]-3:N-3:N-2:	P-4:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NP)	N(PC[6a]2Cl)(CC[6a]N)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NP)	N(PC[6a]2Cl)(CC[6a]N)	N(CC[6a]N)(CC3)(H)	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:3:	N-3:N-3:N-2:	S-4:C-3:	C-3:C-4:C-3:	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CC[6a]O)(CCCH)(CNN)	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CC[6a]O)(CCCH)(CNN)	127.5930	0.000	1	127.5930	0.000	1	126.9240	0.895	2	126.6117	0.740	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:3:	N-3:N-3:N-2:	S-4:C-3:	C-3:C-4:C-3:	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CC[6a]O)(CCHH)(CNN)	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CC[6a]O)(CCHH)(CNN)	126.2550	0.000	1	126.2550	0.000	1	126.9240	0.895	2	126.6117	0.740	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:3:	P-3:N-3:N-2:	C-4:C-3:	B[5]-3:C-4:C-3:	C(PC[6a]2)(NB[5]C)(NC)	N(CCCH)(CNP)	N(B[5]O[5]2)(CCCH)(CNP)	C(PC[6a]2)(NB[5]C)(NC)	N(CCCH)(CNP)	N(B[5]O[5]2)(CCCH)(CNP)	125.9870	0.000	1	125.9870	0.000	1	125.9870	0.000	1	126.6117	0.740	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:4:	C[6a]-3:N-3:N-2:	P-4:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NP)	N(PC[6a]2Cl)(CC[6a]N)	N(CC[6a]N)(CCCH)2	C(C[6a]C[6a]2)(NCC)(NP)	N(PC[6a]2Cl)(CC[6a]N)	N(CC[6a]N)(CCCH)2	119.6200	0.000	1	119.6200	0.000	1	119.8160	0.077	2	119.5433	0.261	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:4:	C[6a]-3:N-3:N-2:	P-4:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NP)	N(PC[6a]2Ru)(CC[6a]N)	N(CC[6a]N)(CCCH)2	C(C[6a]C[6a]2)(NCC)(NP)	N(PC[6a]2Ru)(CC[6a]N)	N(CC[6a]N)(CCCH)2	120.0120	0.000	1	120.0120	0.000	1	119.8160	0.077	2	119.5433	0.261	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	3:4:4:	C[6a]-3:N-3:N-2:	S-4:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(NS)	N(SC[6a]OO)(CC[6a]N)	N(CC[6a]N)(CCCH)2	C(C[6a]C[6a]2)(NCC)(NS)	N(SC[6a]OO)(CC[6a]N)	N(CC[6a]N)(CCCH)2	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	119.5433	0.261	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	C-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(CFeC)(NCH)(NC)	N(CCCH)(CCN)	N(CC3)(CCN)(H)	C(CFeC)(NCH)(NC)	N(CCCH)(CCN)	N(CC3)(CCN)(H)	121.5790	0.000	1	121.5790	0.000	1	121.5790	0.000	1	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(NS)	N(SC[6a]OO)(CCN)	N(CC3)(CCN)(H)	C(CCC)(NCH)(NS)	N(SC[6a]OO)(CCN)	N(CC3)(CCN)(H)	120.4700	0.000	1	120.4700	0.000	1	120.7217	0.405	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-3:H-1:	C(CNO)(NCH)(NS)	N(SC[6a]OO)(CCN)	N(CC3)(CCN)(H)	C(CNO)(NCH)(NS)	N(SC[6a]OO)(CCN)	N(CC3)(CCN)(H)	120.8475	0.845	2	120.8475	0.714	2	120.7217	0.405	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	C[6a]-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]2H)(CC[6a]N)	N(CC[6a]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]2H)(CC[6a]N)	N(CC[6a]2H)(CC[6a]N)(H)	119.6590	0.000	1	119.6590	0.000	1	119.6590	0.000	1	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CCCH)(CNN)	N(CCCH)(CNN)(H)	C(NCH)2(NC)	N(CCCH)(CNN)	N(CCCH)(CNN)(H)	119.9560	0.491	2	119.9560	0.241	2	122.3147	16.810	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(NC[6a]N)(NCH)(NC)	N(CCCH)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a]N)(NCH)(NC)	N(CCCH)(CNN)	N(CCCH)(CNN)(H)	127.0320	0.000	1	127.0320	0.000	1	122.3147	16.810	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N-3:N-3:N-2:	S-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CC3)(CNN)(H)	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CC3)(CNN)(H)	119.0035	1.558	2	119.0035	2.427	2	118.8690	1.268	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N-3:N-3:N-2:	S-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CCCH)(CNN)(H)	118.6000	0.000	1	118.6000	0.000	1	118.8690	1.268	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N-3:N-3:N-2:	S-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]C)(NC[6]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]C)(NC[6]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6]C[6]2H)(CNN)(H)	119.2002	0.810	5	119.2002	0.655	5	119.2002	0.655	5	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N[5]-3:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5]N)	N(C[6]C[6]2H)(CN[5]N)(H)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5]N)	N(C[6]C[6]2H)(CN[5]N)(H)	127.2310	0.000	1	127.2310	0.000	1	127.2310	0.000	1	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N[5a]-3:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)	N(C[6]C[6]2H)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)	N(C[6]C[6]2H)(CN[5a]N)(H)	124.4035	0.667	2	124.4035	0.445	2	123.9270	0.442	8	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N[5a]-3:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)	N(C[6]C[6]2H)(CN[5a]N)(H)	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)	N(C[6]C[6]2H)(CN[5a]N)(H)	123.7682	0.639	6	123.7682	0.409	6	123.9270	0.442	8	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	N(C[6]C[6]2H)(CN[6]N)(H)	126.4260	0.443	4	126.4260	0.197	4	126.4260	0.197	4	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	P-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(PC[6]2)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	C(PC[6]2)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	118.3810	0.000	1	118.3810	0.000	1	119.3290	0.680	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:1:	P-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(PC[6a]C)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	C(PC[6a]C)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	119.8030	0.107	2	119.8030	0.012	2	119.3290	0.680	3	122.0404	9.060	32	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:Ga-3:C-3:	C(NGaC)(NCC)(NC)	N(CCCH)(CNN)	N(CCCH)(GaNN)(CNN)	C(NGaC)(NCC)(NC)	N(CCCH)(CNN)	N(CCCH)(GaNN)(CNN)	111.9325	0.078	2	111.9325	0.006	2	111.9325	0.006	2	122.8838	46.315	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:3:	N-3:N-3:N-2:	S-4:C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NC[6]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C(NC[6]C)(NC[6]H)(NS)	N(SC[6a]OO)(CNN)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	126.3564	0.927	5	126.3564	0.860	5	126.3564	0.860	5	122.8838	46.315	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:3:3:	N[6]-3:N-3:N-2:	C[6]-4:C-3:	C[6]-4:P-3:C-3:	C(N[6]C[6]2)(NC[6]P)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6]P)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	127.4230	0.000	1	127.4230	0.000	1	127.4230	0.000	1	122.8838	46.315	8	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CCCH)2(CCN)	C(CCC)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CCCH)2(CCN)	118.7150	0.000	1	118.7150	0.000	1	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	N(SCOO)(CCN)	N(CC[6a]HH)2(CCN)	C(CCH)(NCC)(NS)	N(SCOO)(CCN)	N(CC[6a]HH)2(CCN)	117.8300	0.000	1	117.8300	0.000	1	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CCHH)2(CCN)	C(CCH)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CCHH)2(CCN)	117.5635	0.907	2	117.5635	0.823	2	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CC[6a]HH)2(CCN)	C(CCH)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CC[6a]HH)2(CCN)	117.3705	1.152	2	117.3705	1.327	2	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CC[6]C)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CH3)2(CCN)	C(CC[6]C)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CH3)2(CCN)	116.9600	0.000	1	116.9600	0.000	1	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CH3)2(CCN)	C(CC[6a]C)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CH3)2(CCN)	117.4170	0.000	1	117.4170	0.000	1	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CC[6a]N)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CH3)2(CCN)	C(CC[6a]N)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CH3)2(CCN)	118.1140	0.000	1	118.1140	0.000	1	117.6560	0.529	9	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CCHH)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CCHH)(CNN)	N(CH3)2(CNN)	122.9000	5.124	2	122.9000	26.252	2	124.1905	11.512	8	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CDyNN)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CDyNN)(CNN)	N(CH3)2(CNN)	126.7100	0.000	1	126.7100	0.000	1	124.1905	11.512	8	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CNOY)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CNOY)(CNN)	N(CH3)2(CNN)	121.4860	4.439	2	121.4860	19.707	2	124.1905	11.512	8	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CYbNN)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CYbNN)(CNN)	N(CH3)2(CNN)	126.2750	0.000	1	126.2750	0.000	1	124.1905	11.512	8	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NGaC)(NCC)(NC)	N(CCCH)(CNN)	N(CH3)2(CNN)	C(NGaC)(NCC)(NC)	N(CCCH)(CNN)	N(CH3)2(CNN)	125.8835	0.493	2	125.8835	0.243	2	124.1905	11.512	8	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:Si-4:C-3:	C(NSi2)(NSiC)(NC)	N(CCCH)(CNN)	N(CCCH)(SiC3)(CNN)	C(NSi2)(NSiC)(NC)	N(CCCH)(CNN)	N(CCCH)(SiC3)(CNN)	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	Si-4:Si-4:C-3:	C(NSi2)(NSiC)(NC)	N(CCCH)(CNN)	N(SiC3)2(CNN)	C(NSi2)(NSiC)(NC)	N(CCCH)(CNN)	N(SiC3)2(CNN)	125.7270	0.000	1	125.7270	0.000	1	125.7270	0.000	1	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	Ga-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGa)	N(GaH3)(CNN)	N(CH3)2(CNN)	C(NCC)2(NGa)	N(GaH3)(CNN)	N(CH3)2(CNN)	121.1575	1.398	2	121.1575	1.954	2	121.1575	1.954	2	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	Ge-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(GeCl2N)(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(GeCl2N)(CNN)	N(CH3)2(CNN)	124.1613	5.070	3	124.1613	25.706	3	125.2140	21.570	4	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	Ge-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(GeN3)(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(GeN3)(CNN)	N(CH3)2(CNN)	128.3720	0.000	1	128.3720	0.000	1	125.2140	21.570	4	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	P-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NP)	N(PN3)(CNN)	N(CH3)2(CNN)	C(NCC)2(NP)	N(PN3)(CNN)	N(CH3)2(CNN)	123.1817	4.709	16	123.1817	22.171	16	123.1817	22.171	16	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CH3)2(CNN)	C(NCC)(NCH)(NS)	N(SC[6a]OO)(CNN)	N(CH3)2(CNN)	125.4590	0.000	1	125.4590	0.000	1	125.4590	0.000	1	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	Si-4:C-3:	C-4:C-4:C-3:	C(NZrC)(NCC)(NSi)	N(SiC3)(CNN)	N(CH3)2(CNN)	C(NZrC)(NCC)(NSi)	N(SiC3)(CNN)	N(CH3)2(CNN)	126.4790	0.192	3	126.4790	0.037	3	126.4790	0.037	3	122.4821	20.188	45	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:4:2:	3:2:	3:3:1:	N-3:C-4:N-2:	C-3:O-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(NO)	N(CCN)(OH)	N(C[6a]C[6a]N[6a])(CCN)(H)	C(NC[6a]H)(CH3)(NO)	N(CCN)(OH)	N(C[6a]C[6a]N[6a])(CCN)(H)	120.3560	0.515	2	120.3560	0.265	2	120.3560	0.265	2	120.3560	0.265	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:4:2:	3:3:	3:3:1:	N-3:C-4:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFF)(NC)	N(CCN)2	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCFF)(NC)	N(CCN)2	N(C[6a]C[6a]2)(CCN)(H)	121.4557	0.821	4	121.4557	0.675	4	121.6998	0.804	5	121.6998	0.804	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:4:2:	3:3:	3:3:1:	N-3:C-4:N-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(NC)	N(CCN)2	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CF3)(NC)	N(CCN)2	N(C[6a]C[6a]2)(CCN)(H)	122.6760	0.000	1	122.6760	0.000	1	121.6998	0.804	5	121.6998	0.804	5	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:4:2:	4:3:	4:3:1:	N-3:C-4:N-2:	S-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(NS)	N(SC[6a]OO)(CCN)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CH3)(NS)	N(SC[6a]OO)(CCN)	N(C[6]C[6]2H)(CCN)(H)	117.8635	0.477	2	117.8635	0.228	2	117.8635	0.228	2	117.8635	0.228	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:4:2:	4:3:	4:4:3:	N-3:C-4:N-2:	C-4:C-3:	C[6]-4:S-4:C-3:	C(NC[6]S)(CH3)(NC)	N(CC[6]CC)(CCN)	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C(NC[6]S)(CH3)(NC)	N(CC[6]CC)(CCN)	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	119.8030	39.409	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	3:4:2:	4:3:	4:4:3:	N-3:C-4:N-2:	C-4:C-3:	Si-4:C-4:C-3:	C(NSiC)(CH3)(NC)	N(CCCH)(CCN)	N(SiC[6a]HN)(CCCH)(CCN)	C(NSiC)(CH3)(NC)	N(CCCH)(CCN)	N(SiC[6a]HN)(CCCH)(CCN)	115.3640	0.000	1	115.3640	0.000	1	115.3640	0.000	1	119.8030	39.409	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:2:3:	3:3:	4:3:1:	C-4:N-2:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[5a]HH)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	N(CCHH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	N(CCHH)(CCN)(H)	121.2450	0.000	1	121.2450	0.000	1	120.9476	1.399	9	120.9476	1.399	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:2:3:	3:3:	4:3:1:	C-4:N-2:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[5a]HH)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC[6a]HH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC[6a]HH)(CCN)(H)	119.8053	0.604	4	119.8053	0.365	4	120.9476	1.399	9	120.9476	1.399	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:2:3:	3:3:	4:3:1:	C-4:N-2:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]HN)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC3)(CCN)(H)	C(CC[6a]HN)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CCN)	N(CC3)(CCN)(H)	122.0155	0.276	4	122.0155	0.076	4	120.9476	1.399	9	120.9476	1.399	9	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:2:3:	3:3:	4:4:3:	C-4:N-2:N-3:	C[6a]-3:C-3:	C-4:S-4:C-3:	C(CC[6a]HH)(NC[6a])(NCS)	N(C[6a]C[6a]2)(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]HH)(NC[6a])(NCS)	N(C[6a]C[6a]2)(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCN)	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:1:	3:1:1:	C-4:N-3:N-2:	C-3:Br-1:	C-3:H-1:H-1:	C(CBrNN)(NHH)(NBr)	N(CCN)(Br)	N(CCN)(H)2	C(CBrNN)(NHH)(NBr)	N(CCN)(Br)	N(CCN)(H)2	130.1360	0.000	1	130.1360	0.000	1	130.1360	0.000	1	127.1023	23.996	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:1:	3:1:1:	C-4:N-3:N-2:	C-3:Cl-1:	C-3:H-1:H-1:	C(CClNN)(NHH)(NCl)	N(CCN)(Cl)	N(CCN)(H)2	C(CClNN)(NHH)(NCl)	N(CCN)(Cl)	N(CCN)(H)2	129.7200	0.000	1	129.7200	0.000	1	129.7200	0.000	1	127.1023	23.996	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:1:	3:1:1:	C-4:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(NH)	N(CCN)(H)	N(CCN)(H)2	C(CH3)(NHH)(NH)	N(CCN)(H)	N(CCN)(H)2	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	127.1023	23.996	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:1:	3:3:1:	C-4:N-3:N-2:	C-3:H-1:	N-3:C-3:H-1:	C(CH3)(NHN)(NH)	N(CCN)(H)	N(NC[6a]H)(CCN)(H)	C(CH3)(NHN)(NH)	N(CCN)(H)	N(NC[6a]H)(CCN)(H)	120.5320	0.000	1	120.5320	0.000	1	120.5320	0.000	1	120.5320	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:1:	4:3:1:	C-4:N-3:N-2:	C-3:Cl-1:	C-4:C-3:H-1:	C(CClNN)(NCH)(NCl)	N(CCN)(Cl)	N(CH3)(CCN)(H)	C(CClNN)(NCH)(NCl)	N(CCN)(Cl)	N(CH3)(CCN)(H)	129.5090	0.000	1	129.5090	0.000	1	129.5090	0.000	1	129.5090	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:C-2:	C-3:H-1:H-1:	C(CCl3)(NHH)(NC)	N(CCN)(CN)	N(CCN)(H)2	C(CCl3)(NHH)(NC)	N(CCN)(CN)	N(CCN)(H)2	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CC3)(NHH)(NO)	N(CCN)(OC)	N(CCN)(H)2	C(CC3)(NHH)(NO)	N(CCN)(OC)	N(CCN)(H)2	125.6950	0.000	1	125.6950	0.000	1	125.1504	3.506	16	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CCHH)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CCHH)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	124.6391	1.077	7	124.6391	1.161	7	125.1504	3.506	16	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CC[6a]C[3]C)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	123.1967	2.251	3	123.1967	5.067	3	125.1504	3.506	16	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CC[6a]HH)(NHH)(NO)	N(CCN)(OC)	N(CCN)(H)2	C(CC[6a]HH)(NHH)(NO)	N(CCN)(OC)	N(CCN)(H)2	127.4745	0.222	4	127.4745	0.049	4	125.1504	3.506	16	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CH3)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CH3)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	124.7500	0.000	1	124.7500	0.000	1	125.1504	3.506	16	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	C[5]-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(NHH)(NO)	N(CC[5]N)(OH)	N(CC[5]N)(H)2	C(C[5]C[5]N[5]H)(NHH)(NO)	N(CC[5]N)(OH)	N(CC[5]N)(H)2	125.6450	0.000	1	125.6450	0.000	1	125.6450	0.000	1	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:1:1:	S-4:N-3:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(SO3)(NHH)(NN)	N(CNS)(NC)	N(CNS)(H)2	C(SO3)(NHH)(NN)	N(CNS)(NC)	N(CNS)(H)2	127.1760	0.000	1	127.1760	0.000	1	127.1760	0.000	1	125.4298	3.512	19	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:2:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:N-2:H-1:	C(CF3)(NHN)(NO)	N(CCN)(OH)	N(CCN)(NC)(H)	C(CF3)(NHN)(NO)	N(CCN)(OH)	N(CCN)(NC)(H)	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	3:3:1:	C-4:N-3:N-2:	C-3:N-2:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(NN)	N(CCN)(NC)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NN)	N(CCN)(NC)	N(C[6a]C[6a]2)(CCN)(H)	123.1385	1.428	2	123.1385	2.038	2	123.1385	2.038	2	123.1385	2.038	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	4:4:3:	C-4:N-3:N-2:	C-3:C-2:	C-4:C-4:C-3:	C(CH3)(NCC)(NC)	N(CCN)(CN)	N(CC[6a]HH)(CH3)(CCN)	C(CH3)(NCC)(NC)	N(CCN)(CN)	N(CC[6a]HH)(CH3)(CCN)	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	117.9200	0.129	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:2:	4:4:3:	C-4:N-3:N-2:	C-3:O-2:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(NO)	N(CCN)(OH)	N(CH3)2(CCN)	C(CC[6a]HH)(NCC)(NO)	N(CCN)(OH)	N(CH3)2(CCN)	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	117.9200	0.129	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	3:1:1:	C-4:N-3:N-2:	N-3:C-3:	C-3:O-1:O-1:	C(CCHH)(NOO)(NN)	N(NC[6a]H)(CCN)	N(CCN)(O)2	C(CCHH)(NOO)(NN)	N(NC[6a]H)(CCN)	N(CCN)(O)2	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	117.0845	59.547	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	3:1:1:	S-4:N-3:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(SRhOO)(NHH)(NN)	N(NRhC)(CNS)	N(CNS)(H)2	C(SRhOO)(NHH)(NN)	N(NRhC)(CNS)	N(CNS)(H)2	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	117.0845	59.547	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	3:3:1:	C[3x6]-4:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[3x6]N)	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[3x6]N)	N(C[6a]C[6a]2)(CC[3x6]N)(H)	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	4:3:1:	P-4:N-3:N-2:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6a]C[6a]2)(CNP)	N(C[6]C[6]2H)(CNP)(H)	132.3610	0.000	1	132.3610	0.000	1	132.3610	0.000	1	132.3610	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	4:4:3:	C-4:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(NC)	N(CCN)(CNO)	N(CCHH)2(CCN)	C(CCHH)(NCC)(NC)	N(CCN)(CNO)	N(CCHH)2(CCN)	118.7010	0.000	1	118.7010	0.000	1	118.4720	0.508	3	118.4720	0.508	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	4:4:3:	C-4:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(NC)	N(CCN)(CNO)	N(CH3)2(CCN)	C(CCHH)(NCC)(NC)	N(CCN)(CNO)	N(CH3)2(CCN)	119.0420	0.000	1	119.0420	0.000	1	118.4720	0.508	3	118.4720	0.508	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:3:	4:4:3:	C-4:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(NC)	N(CCN)2	N(CH3)2(CCN)	C(CH3)(NCC)(NC)	N(CCN)2	N(CH3)2(CCN)	117.6730	0.000	1	117.6730	0.000	1	118.4720	0.508	3	118.4720	0.508	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	3:4:	3:4:4:	C[6]-4:N-3:N-2:	C-3:P-4:	C-3:C-4:C-4:	C(C[6]C[6]2Ru)(NCC)(NP)	N(CC[6]N)(PRuCC)	N(CC[6]N)(CCCH)2	C(C[6]C[6]2Ru)(NCC)(NP)	N(CC[6]N)(PRuCC)	N(CC[6]N)(CCCH)2	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	3:1:1:	C-4:N-3:N-2:	N-4:C-3:	C-3:H-1:H-1:	C(CHNN)(NHH)(NN)	N(NH3)(CCN)	N(CCN)(H)2	C(CHNN)(NHH)(NN)	N(NH3)(CCN)	N(CCN)(H)2	131.6600	0.000	1	131.6600	0.000	1	131.6600	0.000	1	129.0480	5.384	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	3:1:1:	C-4:N-3:N-2:	S-4:C-3:	C-3:H-1:H-1:	C(CCHH)(NHH)(NS)	N(SNOO)(CCN)	N(CCN)(H)2	C(CCHH)(NHH)(NS)	N(SNOO)(CCN)	N(CCN)(H)2	127.7420	0.731	2	127.7420	0.535	2	127.7420	0.535	2	129.0480	5.384	3	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	3:3:1:	C-4:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]CH)(NC[6a]H)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	127.5595	0.815	2	127.5595	0.665	2	127.5595	0.665	2	127.5595	0.665	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	3:3:2:	C-4:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]HH)(NC[6a]N)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]HH)(NC[6a]N)(NS)	N(SC[6a]OO)(CCN)	N(C[6a]C[6a]2)(CCN)(NC)	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	3:3:3:	C-4:N-3:N-2:	S-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]HH)(NC[6a]C)(NS)	N(SCOO)(CCN)	N(C[6a]C[6a]2)(CCN)2	C(CC[6a]HH)(NC[6a]C)(NS)	N(SCOO)(CCN)	N(C[6a]C[6a]2)(CCN)2	114.0490	0.000	1	114.0490	0.000	1	114.0490	0.000	1	114.0490	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	3:4:4:	C[6]-4:N-3:N-2:	P-4:C-3:	C-3:C-4:C-4:	C(C[6]C[6]2Ru)(NCC)(NP)	N(PC[6a]2Ru)(CC[6]N)	N(CC[6]N)(CCCH)2	C(C[6]C[6]2Ru)(NCC)(NP)	N(PC[6a]2Ru)(CC[6]N)	N(CC[6]N)(CCCH)2	122.2345	0.032	2	122.2345	0.001	2	122.2345	0.001	2	122.2345	0.001	2	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	C-4:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(NC)	N(CC[6a]CH)(CCN)	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)(NC)	N(CC[6a]CH)(CCN)	N(CC[6a]CH)(CCN)(H)	125.2230	0.000	1	125.2230	0.000	1	125.2230	0.000	1	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	C-4:N-3:N-2:	S-4:C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(NS)	N(SC[6a]OO)(CCN)	N(CC3)(CCN)(H)	C(CH3)(NCH)(NS)	N(SC[6a]OO)(CCN)	N(CC3)(CCN)(H)	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	C(PC[6]2S)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	133.2620	0.000	1	133.2620	0.000	1	126.8950	52.659	4	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	C(PC[6]2Se)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	133.0810	0.000	1	133.0810	0.000	1	126.8950	52.659	4	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(PC[6a]2Cu)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	C(PC[6a]2Cu)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	120.6185	0.619	2	120.6185	0.383	2	126.8950	52.659	4	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(PC[6]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	134.8860	0.000	1	134.8860	0.000	1	123.2760	32.408	6	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(PC[6a]2B)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2B)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	120.5160	0.000	1	120.5160	0.000	1	123.2760	32.408	6	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(PC[6a]2S)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2S)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	121.1740	0.000	2	121.1740	0.000	2	123.2760	32.408	6	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(PC[6a]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)	N(C[6]C[6]2H)(CNP)(H)	120.9530	0.000	2	120.9530	0.000	2	123.2760	32.408	6	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:3:1:	S-4:N-3:N-2:	P-4:C-3:	C-4:C-3:H-1:	C(SCu3)(NCH)(NP)	N(POOS)(CNS)	N(CCCH)(CNS)(H)	C(SCu3)(NCH)(NP)	N(POOS)(CNS)	N(CCCH)(CNS)(H)	118.5850	0.320	8	118.5850	0.102	8	118.5850	0.102	8	122.0580	28.099	20	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:4:3:	C-4:N-3:N-2:	B-4:C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(NB)	N(BN[5]3)(CCN)	N(CH3)2(CCN)	C(CH3)(NCC)(NB)	N(BN[5]3)(CCN)	N(CH3)2(CCN)	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	118.2530	2.028	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:4:3:	C-4:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(NC)	N(CCCH)(CCN)	N(CLiNN)(CCCH)(CCN)	C(CCHH)(NCC)(NC)	N(CCCH)(CCN)	N(CLiNN)(CCCH)(CCN)	119.1900	0.000	1	119.1900	0.000	1	118.9543	0.044	3	118.2530	2.028	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:4:3:	C-4:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(NC)	N(CC[6a]HH)(CCN)	N(CH3)2(CCN)	C(CH3)(NCC)(NC)	N(CC[6a]HH)(CCN)	N(CH3)2(CCN)	118.8365	0.066	2	118.8365	0.004	2	118.9543	0.044	3	118.2530	2.028	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:4:3:	C-4:N-3:N-2:	S-4:C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CCCH)2(CCN)	C(CC[6a]HH)(NCC)(NS)	N(SC[6a]OO)(CCN)	N(CCCH)2(CCN)	116.9980	0.000	1	116.9980	0.000	1	116.9980	0.000	1	118.2530	2.028	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	4:3:2:	4:3:	4:4:3:	C-4:N-3:N-2:	S-4:C-3:	S-4:C-4:C-3:	C(CCCH)(NCS)(NS)	N(SC[6a]OO)(CCN)	N(SC[6a]OO)(CC[4]HH)(CCN)	C(CCCH)(NCS)(NS)	N(SC[6a]OO)(CCN)	N(SC[6a]OO)(CC[4]HH)(CCN)	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	118.2530	2.028	6	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	5:3:2:	3:4:	3:4:4:	C[3x3,4,3x5,14x6]-5:N-3:N-2:	C-3:C-4:	C-3:C-4:Si-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSiC)(NC)	N(CC[3x3,4,3x5,14x6]N)(CCCH)	N(CC[3x3,4,3x5,14x6]N)(CCCH)(SiC3)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSiC)(NC)	N(CC[3x3,4,3x5,14x6]N)(CCCH)	N(CC[3x3,4,3x5,14x6]N)(CCCH)(SiC3)	129.8390	0.000	1	129.8390	0.000	1	129.8390	0.000	1	129.8390	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP2	C	N	N	6:3:2:	3:4:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	N(CC[5x3,5x5,20x6]N)(CCCH)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	N(CC[5x3,5x5,20x6]N)(CCCH)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	132.6520	0.000	1	132.6520	0.000	1	132.6520	0.000	1	132.6520	0.000	1	119.9262	22.177	2043	119.9262	22.177	2043
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:2:	3:3:	3:1:1:	N-2:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	N(CNN)2	N(CNN)(H)2	114.9555	7.631	4	114.9555	58.233	4	114.9555	58.233	4	118.5037	44.175	8	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:2:	3:3:	3:1:1:	N-2:N-3:N-2:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	122.0520	3.357	4	122.0520	11.267	4	122.0520	11.267	4	118.5037	44.175	8	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:2:	3:3:	4:3:2:	N-2:N-3:S-2:	C[5a]-3:C-3:	C-4:C-3:N-2:	C(NC[5a])(NCN)(SC)	N(C[5a]C[5a]O[5a])(CNS)	N(CH3)(CNS)(NC)	C(NC[5a])(NCN)(SC)	N(C[5a]C[5a]O[5a])(CNS)	N(CH3)(CNS)(NC)	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[5a]-3:C-3:	C-3:H-1:H-1:	C(NC[5a])(NHH)2	N(C[5a]N[5a]S[5a])(CNN)	N(CNN)(H)2	C(NC[5a])(NHH)2	N(C[5a]N[5a]S[5a])(CNN)	N(CNN)(H)2	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	119.5225	20.053	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	3:3:	3:1:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)2	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	C(NC[6a])(NHH)2	N(C[6a]C[6a]2)(CNN)	N(CNN)(H)2	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	119.5225	20.053	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	3:3:	4:3:1:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	N(C[6a]C[6a]2)(CNN)	N(CCCH)(CNN)(H)	123.1335	5.683	2	123.1335	32.297	2	123.1335	32.297	2	123.1335	32.297	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	3:3:	4:4:3:	N-2:N-3:N-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	C(NC[6a])(NCC)2	N(C[6a]C[6a]2)(CNN)	N(CH3)2(CNN)	118.4273	0.138	3	118.4273	0.019	3	118.4273	0.019	3	118.4273	0.019	3	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:3:	3:1:1:	N-2:C-3:N-3:	C[6]-4:C-3:	C-3:H-1:H-1:	C(NC[6])(CCH)(NHH)	N(C[6]C[6]2H)(CCN)	N(CCN)(H)2	C(NC[6])(CCH)(NHH)	N(C[6]C[6]2H)(CCN)	N(CCN)(H)2	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:3:	4:3:1:	N-2:N-3:N-3:	C[5]-4:C-3:	C-4:C-3:H-1:	C(NC[5])(NCH)2	N(C[5]C[5]2Fe)(CNN)	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	N(C[5]C[5]2Fe)(CNN)	N(CCCH)(CNN)(H)	126.0420	0.000	1	126.0420	0.000	1	126.0420	0.000	1	126.0420	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:3:	4:4:3:	N-2:N-3:N-3:	C[5]-4:C-3:	C-4:C-4:C-3:	C(NC[5])(NCC)2	N(C[5]C[5]2Fe)(CNN)	N(CH3)2(CNN)	C(NC[5])(NCC)2	N(C[5]C[5]2Fe)(CNN)	N(CH3)2(CNN)	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	2:4:3:	3:3:	3:1:1:	N-2:C-4:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a])(CC3)(NHH)	N(C[6a]C[6a]2)(CCN)	N(CCN)(H)2	C(NC[6a])(CC3)(NHH)	N(C[6a]C[6a]2)(CCN)	N(CCN)(H)2	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:1:	3:2:	4:4:3:	N-3:N-2:H-1:	C-3:N-2:	C-4:C-4:C-3:	C(NCC)(NN)(H)	N(CHN)(NC)	N(CH3)2(CHN)	C(NCC)(NN)(H)	N(CHN)(NC)	N(CH3)2(CHN)	123.0190	0.000	1	123.0190	0.000	1	123.0190	0.000	1	123.0190	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)(NN)	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NH)(NN)	N(CNN)(H)	N(CNN)(H)2	121.4540	0.000	1	121.4540	0.000	1	120.3043	1.270	3	120.3043	1.270	3	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:1:	3:1:1:	N-3:N-2:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NH)2	N(CNN)(H)	N(CNN)(H)2	C(NHH)(NH)2	N(CNN)(H)	N(CNN)(H)2	119.7295	0.746	2	119.7295	0.557	2	120.3043	1.270	3	120.3043	1.270	3	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:2:	3:1:1:	N-3:N-2:N-2:	C-3:N-2:	C-3:H-1:H-1:	C(NHH)(NH)(NN)	N(CNN)(NH)	N(CNN)(H)2	C(NHH)(NH)(NN)	N(CNN)(NH)	N(CNN)(H)2	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:2:	3:3:1:	N-3:N-2:S-2:	C-3:C-2:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC)(SC)	N(CNS)(CN)	N(C[5a]C[5a]2)(CNS)(H)	C(NC[5a]H)(NC)(SC)	N(CNS)(CN)	N(C[5a]C[5a]2)(CNS)(H)	124.8750	0.000	1	124.8750	0.000	1	124.8750	0.000	1	124.8750	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:N-2:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)(NNi)(NC)	N(CNN)2	N(CNN)(H)2	C(NHH)(NNi)(NC)	N(CNN)2	N(CNN)(H)2	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	116.4928	4.715	5	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:O-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(OFe)(NN)	N(NFeC)(CNO)	N(CNO)(H)2	C(NHH)(OFe)(NN)	N(NFeC)(CNO)	N(CNO)(H)2	118.4980	0.000	1	118.4980	0.000	1	116.3540	9.193	2	116.4928	4.715	5	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:O-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(ONi)(NN)	N(NNiC)(CNO)	N(CNO)(H)2	C(NHH)(ONi)(NN)	N(NNiC)(CNO)	N(CNO)(H)2	114.2100	0.000	1	114.2100	0.000	1	116.3540	9.193	2	116.4928	4.715	5	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SCu)(NN)	N(NCuC)(CNS)	N(CNS)(H)2	C(NHH)(SCu)(NN)	N(NCuC)(CNS)	N(CNS)(H)2	117.3050	0.000	1	117.3050	0.000	1	117.8155	0.521	2	116.4928	4.715	5	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	3:1:1:	N-3:S-2:N-2:	N-3:C-3:	C-3:H-1:H-1:	C(NHH)(SNi)(NN)	N(NNiC)(CNS)	N(CNS)(H)2	C(NHH)(SNi)(NN)	N(NNiC)(CNS)	N(CNS)(H)2	118.3260	0.000	1	118.3260	0.000	1	117.8155	0.521	2	116.4928	4.715	5	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	3:3:1:	N-3:N-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])2	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	125.8085	3.154	2	125.8085	9.950	2	125.8085	9.950	2	125.8085	9.950	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	4:3:1:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-3:H-1:	C(NCH)(SCo)(NN)	N(NCoC)(CNS)	N(CCHH)(CNS)(H)	C(NCH)(SCo)(NN)	N(NCoC)(CNS)	N(CCHH)(CNS)(H)	119.0960	0.000	1	119.0960	0.000	1	119.0960	0.000	1	119.0960	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	3:3:	4:4:3:	N-3:S-2:N-2:	N-3:C-3:	C-4:C-4:C-3:	C(NCC)(SRe)(NN)	N(NReC)(CNS)	N(CCHH)2(CNS)	C(NCC)(SRe)(NN)	N(NReC)(CNS)	N(CCHH)2(CNS)	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:2:	4:3:	4:3:1:	N-3:C-2:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(CC)(NC)	N(CCCH)(CCN)	N(CCCH)(CCN)(H)	C(NCH)(CC)(NC)	N(CCCH)(CCN)	N(CCCH)(CCN)(H)	123.0870	0.000	1	123.0870	0.000	1	123.0870	0.000	1	123.0870	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N-2:N-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	N(CC[6a]N)(H)2	125.8630	0.000	1	125.8630	0.000	1	125.8630	0.000	1	125.8630	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:3:	4:3:	4:3:1:	N-3:N-2:N-3:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	N(C[6]C[6]2H)(CNN)(H)	127.7980	0.998	2	127.7980	0.997	2	127.7980	0.997	2	127.7980	0.997	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:3:	4:3:	4:4:3:	N-3:N-2:N-3:	C[6]-4:C-3:	C-4:C-4:C-3:	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	N(CH3)2(CNN)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)	N(CH3)2(CNN)	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:2:4:	3:3:	4:3:1:	N-3:N-2:C-4:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)	N(C[6]C[6]2H)(CCN)(H)	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	2:3:	3:1:1:	N-3:N-3:N-2:	N-2:C-3:	C-3:H-1:H-1:	C(NHH)2(NN)	N(NC[5])(CNN)	N(CNN)(H)2	C(NHH)2(NN)	N(NC[5])(CNN)	N(CNN)(H)2	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:Cl-1:	C-3:Cl-1:Cl-1:	C(C[6a]C[6a]2)(NCl2)(NCl)	N(CC[6a]N)(Cl)	N(CC[6a]N)(Cl)2	C(C[6a]C[6a]2)(NCl2)(NCl)	N(CC[6a]N)(Cl)	N(CC[6a]N)(Cl)2	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	120.3052	6.911	12	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	121.0640	0.000	1	121.0640	0.000	1	120.3015	1.163	2	120.3052	6.911	12	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NH)	N(CC[6a]N)(H)	N(CC[6a]N)(H)2	119.5390	0.000	1	119.5390	0.000	1	120.3015	1.163	2	120.3052	6.911	12	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NH)	N(CNN)(H)	N(CNN)(H)2	118.2270	0.000	1	118.2270	0.000	1	120.8417	6.127	9	120.3052	6.911	12	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NH)	N(CNN)(H)	N(CNN)(H)2	C(NHH)2(NH)	N(CNN)(H)	N(CNN)(H)2	121.1685	2.430	8	121.1685	5.904	8	120.8417	6.127	9	120.3052	6.911	12	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:N-2:	C-3:Cl-1:	C-3:C-3:H-1:	C(NCH)2(NCl)	N(CNN)(Cl)	N(CNN)(COO)(H)	C(NCH)2(NCl)	N(CNN)(Cl)	N(CNN)(COO)(H)	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	3:4:3:	N-3:N-3:N-2:	C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NH)	N(CNN)(H)	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)2(NH)	N(CNN)(H)	N(C[6a]C[6a]2)(CCCH)(CNN)	126.0880	0.000	1	126.0880	0.000	1	126.0880	0.000	1	126.0880	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:	4:4:3:	N-3:N-3:N-2:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)2(NH)	N(CNN)(H)	N(CH3)2(CNN)	C(NCC)2(NH)	N(CNN)(H)	N(CH3)2(CNN)	122.4578	2.566	8	122.4578	6.585	8	122.4578	6.585	8	122.4578	6.585	8	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	C-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CC[6a]O)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CC[6a]O)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	125.8910	0.000	1	125.8910	0.000	1	126.9010	2.040	2	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	C-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CNN)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CNN)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	127.9110	0.000	1	127.9110	0.000	1	126.9010	2.040	2	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(NO)	N(CC[5a]N)(OH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NO)	N(CC[5a]N)(OH)	N(CC[5a]N)(H)2	124.9185	2.013	2	124.9185	4.053	2	124.9185	4.053	2	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	C[6]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6]2)(NHH)(NO)	N(CC[6]N)(OH)	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)(NO)	N(CC[6]N)(OH)	N(CC[6]N)(H)2	124.7460	0.000	1	124.7460	0.000	1	124.7460	0.000	1	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OC)	N(CC[6a]N)(H)2	126.7334	1.104	5	126.7334	1.218	5	125.8160	2.598	8	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	N(CC[6a]N)(OH)	N(CC[6a]N)(H)2	124.2870	1.022	3	124.2870	1.045	3	125.8160	2.598	8	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	N-3:N-3:N-2:	C-3:C-2:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)(CN)	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)(CN)	N(CNN)(H)2	123.6130	0.000	1	123.6130	0.000	1	123.6130	0.000	1	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:2:	3:1:1:	N[6]-3:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NO)	N(CN[6]N)(OH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NO)	N(CN[6]N)(OH)	N(CN[6]N)(H)2	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	125.4707	2.690	15	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	C[5a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NHH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	N(CC[5a]N)(NHH)	N(CC[5a]N)(H)2	126.0280	0.000	1	126.0280	0.000	1	126.0280	0.000	1	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NN)	N(CC[6a]N)(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	N(CC[6a]N)(NCH)	N(CC[6a]N)(H)2	128.2290	0.000	1	128.2290	0.000	1	126.9098	0.895	4	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	N(CC[6a]N)(NC[6a]H)	N(CC[6a]N)(H)2	126.4700	0.428	3	126.4700	0.183	3	126.9098	0.895	4	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NCC)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	121.5920	0.000	1	121.5920	0.000	1	118.2165	25.505	13	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	125.5640	0.000	1	125.5640	0.000	1	118.2165	25.505	13	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NCuH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NCuH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	113.5350	0.000	1	113.5350	0.000	1	118.2165	25.505	13	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)2	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)2	N(CNN)(H)2	121.4488	3.988	5	121.4488	15.907	5	118.2165	25.505	13	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NIrH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NIrH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	112.1850	0.000	1	112.1850	0.000	1	118.2165	25.505	13	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(NNiH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	C(NNiH)(NHH)(NC)	N(CNN)2	N(CNN)(H)2	114.1735	0.615	4	114.1735	0.378	4	118.2165	25.505	13	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N[5]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(NC)	N(CN[5]N)(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NC)	N(CN[5]N)(CNN)	N(CN[5]N)(H)2	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:1:1:	N[6]-3:N-3:N-2:	C-3:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NC)	N(CN[6]N)(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	N(CN[6]N)(CNN)	N(CN[6]N)(H)2	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	121.0802	32.584	20	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N-2:	C-3:N-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(CC[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	126.2960	0.000	1	126.2960	0.000	1	126.2960	0.000	1	123.4717	13.130	3	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	122.0595	3.781	2	122.0595	14.295	2	122.0595	14.295	2	123.4717	13.130	3	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:3:1:	N-3:N-3:N-2:	C-3:N-3:	N-4:C-3:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(NH3)(CNN)(H)	C(NHH)(NHN)(NN)	N(CNN)(NOO)	N(NH3)(CNN)(H)	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:3:2:	N-3:N-3:N-2:	C-3:N-3:	C-4:C-3:O-2:	C(NCO)(NHH)(NN)	N(CNN)(NOO)	N(CC[6a]HH)(CNN)(OC)	C(NCO)(NHH)(NN)	N(CNN)(NOO)	N(CC[6a]HH)(CNN)(OC)	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:	S-4:C-4:C-3:	C(CCH)(NCS)(NC)	N(CCC)(CCN)	N(SC[6a]OO)(CH3)(CCN)	C(CCH)(NCS)(NC)	N(CCC)(CCN)	N(SC[6a]OO)(CH3)(CCN)	114.2000	0.436	2	114.2000	0.190	2	113.6690	0.948	5	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:	S-4:C-4:C-3:	C(CCH)(NCS)(NC)	N(CCH)(CCN)	N(SC[6a]OO)(CH3)(CCN)	C(CCH)(NCS)(NC)	N(CCH)(CCN)	N(SC[6a]OO)(CH3)(CCN)	114.5390	0.000	1	114.5390	0.000	1	113.6690	0.948	5	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(NC)	N(CC[6a]2)(CCN)	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]O)(NCS)(NC)	N(CC[6a]2)(CCN)	N(SC[6a]OO)(CH3)(CCN)	112.2470	0.000	1	112.2470	0.000	1	113.6690	0.948	5	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(NC)	N(CC[6a]H)(CCN)	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]O)(NCS)(NC)	N(CC[6a]H)(CCN)	N(SC[6a]OO)(CH3)(CCN)	113.1590	0.000	1	113.1590	0.000	1	113.6690	0.948	5	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CNN)(CNO)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CNN)(CNO)	N(CH3)2(CNN)	125.6780	0.000	1	125.6780	0.000	1	115.8750	23.225	6	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Cu)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NC[6a]Cu)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	113.6160	0.000	1	113.6160	0.000	1	115.8750	23.225	6	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NCoSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NCoSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	113.4840	0.000	1	113.4840	0.000	1	115.8750	23.225	6	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NFeSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NFeSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	113.7950	0.000	1	113.7950	0.000	1	115.8750	23.225	6	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NMnSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NMnSi)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.0570	0.000	1	114.0570	0.000	1	115.8750	23.225	6	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:N-2:	C-3:C-3:	C-4:C-4:C-3:	C(NNiH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	C(NNiH)(NCC)(NC)	N(CNN)2	N(CH3)2(CNN)	114.6200	0.000	1	114.6200	0.000	1	115.8750	23.225	6	114.8723	13.319	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(H)	119.3210	0.047	2	119.3210	0.002	2	120.8540	8.261	4	122.6731	9.384	7	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC3)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CC3)	N(CC[6a]N)(CC3)(H)	119.6140	0.000	1	119.6140	0.000	1	120.8540	8.261	4	122.6731	9.384	7	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	3:4:1:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(H)	125.1600	0.000	1	125.1600	0.000	1	120.8540	8.261	4	122.6731	9.384	7	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	3:4:1:	N[5a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:H-1:	C(N[5a]C[5a]2)(NCH)(NC)	N(CN[5a]N)(CCCH)	N(CN[5a]N)(CCCH)(H)	C(N[5a]C[5a]2)(NCH)(NC)	N(CN[5a]N)(CCCH)	N(CN[5a]N)(CCCH)(H)	125.0987	0.563	3	125.0987	0.317	3	125.0987	0.317	3	122.6731	9.384	7	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	3:4:3:	C[6a]-3:N-3:N-2:	C-3:C-4:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(CNO)	C(C[6a]C[6a]2)(NCC)(NC)	N(CC[6a]N)(CCCH)	N(CC[6a]N)(CCCH)(CNO)	123.1740	0.000	1	123.1740	0.000	1	123.1740	0.000	1	123.1740	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4,5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	C(C[6a]C[6a]2)(NSi[4,5]C)(NC)	N(CC[6a]N)(CC3)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	113.0490	0.000	1	113.0490	0.000	1	113.0490	0.000	1	113.4200	0.275	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:	4:3:4:	C[6a]-3:N-3:N-2:	C-3:C-4:	Si[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CCCH)	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	C(C[6a]C[6a]2)(NSi[4]C)(NC)	N(CC[6a]N)(CCCH)	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	113.4200	0.275	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	3:1:1:	N-3:N-3:N-2:	N-4:C-3:	C-3:H-1:H-1:	C(NHH)2(NN)	N(NH3)(CNN)	N(CNN)(H)2	C(NHH)2(NN)	N(NH3)(CNN)	N(CNN)(H)2	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:N-2:	C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[6])	N(C[6]C[6]2Mo)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6])	N(C[6]C[6]2Mo)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	122.1945	3.935	2	122.1945	15.485	2	122.1945	15.485	2	122.1945	15.485	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:3:1:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(NC)	N(CCCH)(CNN)	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NC)	N(CCCH)(CNN)	N(CCCH)(CNN)(H)	128.4130	0.000	1	128.4130	0.000	1	128.4130	0.000	1	127.5240	1.581	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)	N(C[6]C[6]2H)(CN[6]N)(H)	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	127.5240	1.581	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:N-2:	S-4:C-3:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)(NS)	N(SC[6a]2O)(CCN)	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]H)(NCS)(NS)	N(SC[6a]2O)(CCN)	N(SC[6a]OO)(CH3)(CCN)	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(NC)	N(CCCH)(CNN)	N(CCHH)(CH3)(CNN)	C(NCC)(NCH)(NC)	N(CCCH)(CNN)	N(CCHH)(CH3)(CNN)	119.2930	0.000	1	119.2930	0.000	1	120.2188	8.852	5	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CCHH)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CCHH)(CNN)	N(CH3)2(CNN)	122.7095	3.685	2	122.7095	13.577	2	120.2188	8.852	5	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CDyNN)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CDyNN)(CNN)	N(CH3)2(CNN)	117.7770	0.000	1	117.7770	0.000	1	120.2188	8.852	5	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CYbNN)(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CYbNN)(CNN)	N(CH3)2(CNN)	118.6050	0.000	1	118.6050	0.000	1	120.2188	8.852	5	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	Ge-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(GeCl2N)(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(GeCl2N)(CNN)	N(CH3)2(CNN)	118.0600	0.000	1	118.0600	0.000	1	121.1935	16.423	4	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	Ge-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(GeN3)(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(GeN3)(CNN)	N(CH3)2(CNN)	122.2380	4.253	3	122.2380	18.089	3	121.1935	16.423	4	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:	4:4:3:	N-3:N-3:N-2:	P-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NP)	N(PN3)(CNN)	N(CH3)2(CNN)	C(NCC)2(NP)	N(PN3)(CNN)	N(CH3)2(CNN)	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	119.6317	16.364	11	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	4:3:2:	3:1:	4:4:3:	C-4:N-3:N-2:	C-3:H-1:	C-4:C-4:C-3:	C(CN[5a]2H)(NCC)(NH)	N(CCN)(H)	N(CH3)2(CCN)	C(CN[5a]2H)(NCC)(NH)	N(CCN)(H)	N(CH3)2(CCN)	120.3570	0.000	1	120.3570	0.000	1	120.3570	0.000	1	120.3570	0.000	1	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CCHH)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CCHH)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	123.8167	0.067	3	123.8167	0.004	3	123.5375	0.315	4	123.5375	0.315	4	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	4:3:2:	3:2:	3:1:1:	C-4:N-3:N-2:	C-3:O-2:	C-3:H-1:H-1:	C(CC[6a]C[3]C)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	N(CCN)(OH)	N(CCN)(H)2	122.7000	0.000	1	122.7000	0.000	1	123.5375	0.315	4	123.5375	0.315	4	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	4:3:2:	4:3:	4:3:1:	P-4:N-3:N-2:	C-4:C-3:	C-4:C-3:H-1:	C(PC[6]2Pt)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	C(PC[6]2Pt)(NCH)(NC)	N(CCCH)(CNP)	N(CCCH)(CNP)(H)	133.2960	0.146	2	133.2960	0.021	2	133.2960	0.021	2	133.2960	0.021	2	121.0637	24.981	149	121.0637	24.981	149
930	941	956	0:SP2_SP2_SP3	C	N	N	6:3:2:	3:4:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:N-2:	C-3:C[6]-4:	C-3:C[6]-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	131.5960	0.000	1	131.5960	0.000	1	131.5960	0.000	1	131.5960	0.000	1	121.0637	24.981	149	121.0637	24.981	149