956	643	940	0:SP2_SP-NON_SP2	N	C[6a]	P	3:2:2:	3:3:3:	3:2:	C[6a]-3:Ge-2:P-2:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(GeN)(PN)	C[6a](C[6a]C[6a]C)2(NGeP)	P(NC[6a]Ge)(NC[6a])	N(C[6a]C[6a]2)(GeN)(PN)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(NC[6a]Ge)(NC[6a])	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	2:2:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|N<2>,2|N<3>}	N(CC[6a]C)(NC[6a]H)	120.3060	0.000	1	120.3060	0.000	1	120.0180	0.071	3	120.5530	0.824	5	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	2:2:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.7820	0.000	1	119.7820	0.000	1	120.0180	0.071	3	120.5530	0.824	5	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	2:2:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]N[6a])2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N(CC[6a]H)(NC[6a]H)	119.9660	0.000	1	119.9660	0.000	1	120.0180	0.071	3	120.5530	0.824	5	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	2:2:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:C-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|C<4>}	N(NC[6a]H)(CCC)	120.6450	0.000	1	121.3555	1.010	2	121.3555	1.010	2	120.5530	0.824	5	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	2:2:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:C-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	122.0660	0.000	1	121.3555	1.010	2	121.3555	1.010	2	120.5530	0.824	5	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	2:3:3:	3:3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	N(CC[6a]H)(NC[6a]H)	119.4490	1.028	7	119.4490	1.056	7	119.4490	1.056	7	119.4490	1.056	7	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[5a,6a]N[6a])(NC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(NC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	N(CC[6a]H)(NC[6a]H)	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|N<3>}	N(CC[6a]H)(NC[6a]H)	119.9165	0.291	2	119.9165	0.084	2	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]H)	118.0640	0.000	1	118.0640	0.000	1	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	118.5030	0.000	1	118.5030	0.000	1	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	117.6890	0.000	1	119.0558	0.627	17	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.2188	0.739	14	119.0558	0.627	17	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|N<2>,1|N<3>,1|O<2>}	N(CC[6a]H)(NC[6a]H)	118.5985	0.528	2	119.0558	0.627	17	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]N)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	118.8305	3.036	2	118.8305	9.215	2	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	N(CC[6a]C)(NC[6a]H)	117.0535	0.561	2	117.0535	0.314	2	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	120.0075	0.861	2	120.0075	0.741	2	118.9679	1.265	27	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	N(C[5]C[5]2)(NC[6a]H)	119.6230	0.781	2	119.6230	0.609	2	119.6230	0.609	2	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	120.0933	1.260	7	120.0933	1.587	7	120.0933	1.587	7	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	N(NC[6a]H)(CCC)	117.5487	0.384	3	117.5487	0.148	3	117.5487	0.148	3	119.0963	1.499	40	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	120.2520	0.000	1	120.2520	0.000	1	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	117.6050	0.000	1	117.6050	0.000	1	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	125.4430	0.000	1	125.4430	0.000	1	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	N(NC[6a]H)(NC[6a])	118.7810	0.000	1	118.7810	0.000	1	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	120.1530	0.000	1	120.1530	0.000	1	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	119.0429	1.390	7	119.0429	1.933	7	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]H)(NC[6a])	119.7380	0.000	1	120.5823	0.428	8	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	120.7029	0.603	7	120.5823	0.428	8	120.0096	3.192	20	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:	N(C[6a]C[6a]2)(NO)(O)	C[6a](C[6a]C[6a]H)2(NNO)	N(NC[6a]O)(OC)	N(C[6a]C[6a]2)(NO)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	N(NC[6a]O)(OC)	115.0490	0.136	2	115.0490	0.018	2	115.0490	0.018	2	119.5586	5.020	22	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	N(CC[6a]H)(NC[6a]H)	119.3590	0.000	1	119.3590	0.000	1	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(CC[5a]C)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[5a]C)(NC[6a]H)	118.1750	0.000	1	118.1750	0.000	1	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	118.4350	0.000	1	118.7955	0.260	2	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	N(CC[6a]C)(NC[6a]H)	119.1560	0.000	1	118.7955	0.260	2	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]H)(NC[6a]H)	119.1460	0.000	1	119.3943	0.792	6	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.4440	0.985	5	119.3943	0.792	6	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	N(CC[5a]C)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	N(CC[5a]C)(NC[6a]H)	119.5115	0.221	2	119.5115	0.049	2	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	N(CC[6a]C)(NC[6a]H)	118.8770	0.984	3	118.8770	0.968	3	119.1430	0.592	15	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	120.2710	0.129	2	120.2710	0.017	2	120.2710	0.017	2	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CC[6]C)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	N(NC[6a]H)(CC[6]C)	120.2920	0.000	1	120.2920	0.000	1	120.7107	0.497	3	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CC[5]C)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	N(NC[6a]H)(CC[5]C)	120.3150	0.000	1	120.3150	0.000	1	120.7107	0.497	3	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CC[6]C)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	N(NC[6a]H)(CC[6]C)	121.5250	0.000	1	121.5250	0.000	1	120.7107	0.497	3	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	119.0519	1.896	7	119.0519	3.593	7	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	120.6575	0.924	2	120.6575	0.854	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN){1|Cl<1>,1|C<3>,1|C<4>}	N(CC[6a]C)(NC[6a]H)	117.9760	0.000	1	117.9760	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]H)	118.8990	0.000	1	119.3977	0.219	3	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[5a]H)(NC[6a]H)	119.6470	0.255	2	119.3977	0.219	3	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	117.8420	0.000	1	117.8420	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.3017	1.787	3	119.3017	3.194	3	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	N(CC[6a]H)(NC[6a]H)	121.0960	0.000	2	121.0960	0.000	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[3,5]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[3,5]H)(NC[6a]H)	119.0010	0.000	1	119.0010	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[3x6]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[3x6]H)(NC[6a]H)	120.1240	0.000	1	120.1240	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[5,6]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[5,6]C)(NC[6a]H)	118.9020	0.000	1	118.9020	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[5,6]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[5,6]H)(NC[6a]H)	118.1100	0.000	1	118.1100	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[5a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[5a]C)(NC[6a]H)	119.2120	1.232	7	119.2120	1.517	7	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]H)	119.1415	0.719	2	119.1415	0.517	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]H)	121.8430	0.000	1	121.8430	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	119.7486	0.939	36	119.7486	0.881	36	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]H)(NC[6a]H)	119.5510	0.000	1	119.1671	0.951	40	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.1573	0.986	39	119.1671	0.951	40	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(CC[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	119.0130	1.553	2	119.0130	2.411	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[5a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[5a]C)(NC[6a]H)	118.6815	1.112	2	118.6815	1.237	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[5a]H)(NC[6a]H)	118.9903	0.192	3	119.6200	0.798	10	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]H)	119.8899	0.950	7	119.6200	0.798	10	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]H)	118.7930	0.000	1	118.7930	0.000	1	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	119.1156	1.013	28	119.0694	0.992	30	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	N(CC[6a]C)(NC[6a]H)	118.4220	0.440	2	119.0694	0.992	30	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]H)(NC[6a]H)	122.2260	0.000	1	120.6735	1.003	67	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	120.6980	0.967	64	120.6735	1.003	67	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|N<2>,2|C<3>}	N(CC[6a]H)(NC[6a]H)	119.1120	0.000	2	120.6735	1.003	67	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	118.7415	0.053	2	118.7415	0.003	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]S)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]S)(NC[6a]H)	121.3440	0.202	2	121.3440	0.041	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CN[5a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CN[5a]C)(NC[6a]H)	118.4560	0.199	2	118.4560	0.040	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	121.5880	0.768	4	121.5880	0.590	4	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	119.2440	2.424	2	119.2440	5.876	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]C)(NC[6a]H)	116.9930	0.345	2	116.9930	0.119	2	119.7475	1.611	235	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a]H)	120.9915	1.718	2	120.9915	2.950	2	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a]H)	120.1780	0.000	1	120.1780	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a]H)	120.3400	0.000	1	120.3400	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)2(NHN)	N(C[5]C[5,6a]C[5])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	123.6020	0.000	1	123.6020	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[5]C[5,5]C[5,6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5,6])(NC[6a]H)	117.0950	0.000	1	117.0950	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[5]C[5,5]C[5])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5])(NC[6a]H)	120.6880	0.000	1	120.6880	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	119.1320	0.000	1	119.1320	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[5]C[5,6a]O[5])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5])(NC[6a]H)	118.9090	0.000	1	118.9090	0.000	1	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a]H)	119.1355	0.709	11	119.1355	0.502	11	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a]H)	121.8440	1.317	2	121.8440	1.734	2	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[5]C[5,6a]C[5])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	120.5026	0.871	5	120.5026	0.759	5	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a]H)	119.8865	0.754	22	119.8492	0.537	24	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5]2)(NC[6a]H)	119.4395	0.257	2	119.8492	0.537	24	119.9020	1.348	51	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[5a]C[5a,6a]C[5a])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[6a]H)	120.1810	0.000	1	120.1810	0.000	1	119.6623	0.440	3	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[5a]C[5a]S[5a])(NC[6a]H)	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(NC[6a]H)	119.4030	0.690	2	119.4030	0.476	2	119.6623	0.440	3	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	118.9493	1.108	4	118.9493	1.228	4	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(NC[6a]H)	121.0572	0.644	4	120.8706	0.485	5	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a]H)	120.1240	0.000	1	120.8706	0.485	5	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)2(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a]H)	120.7160	2.605	3	120.7160	6.789	3	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	119.0700	0.000	1	119.0700	0.000	1	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a]H)	120.0610	0.000	1	120.0610	0.000	1	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[3,6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[3,6]C[6])(NC[6a]H)	118.9870	0.000	1	118.9870	0.000	1	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[4,6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[4,6]C[6])(NC[6a]H)	119.8155	0.470	2	119.8155	0.221	2	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[5,6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[5,6]C[6])(NC[6a]H)	119.2620	0.000	1	119.2620	0.000	1	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[6,6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6]C[6])(NC[6a]H)	119.8252	1.937	4	119.8252	3.753	4	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[6,6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]2)(NC[6a]H)	118.1980	0.000	1	118.1980	0.000	1	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	119.2865	0.879	2	119.2865	0.773	2	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a]H)	119.2443	0.846	19	119.2443	0.715	19	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	121.2730	0.327	2	120.2085	1.549	4	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	119.1440	0.092	2	120.2085	1.549	4	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a]H)	119.3165	0.384	2	119.3165	0.147	2	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6,6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]2)(NC[6a]H)	118.8720	0.000	1	118.8720	0.000	1	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	119.8155	0.156	4	119.8800	1.223	34	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	120.0457	1.188	26	119.8800	1.223	34	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	118.6990	0.000	1	119.8800	1.223	34	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6,6a]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(NC[6a]H)	118.9240	0.249	3	119.8800	1.223	34	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(NC[6a]H)	118.8170	0.000	1	119.3702	1.659	8	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a]H)	119.0900	1.492	5	119.3702	1.659	8	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(NC[6a]H)	120.5750	0.000	1	119.3702	1.659	8	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){3|C<3>}	N(C[6]C[6]2)(NC[6a]H)	120.1200	0.000	1	119.3702	1.659	8	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6]C[6]S[6])(NC[6a]H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[6]C[6]S[6])(NC[6a]H)	117.6370	0.030	2	117.6370	0.001	2	119.6370	1.418	95	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	N(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)	118.4510	0.000	1	118.4510	0.000	1	119.9224	1.220	9	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)	120.1064	1.023	8	120.1064	1.047	8	119.9224	1.220	9	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.6871	0.991	7	119.6871	0.982	7	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	123.1713	0.599	3	123.1713	0.359	3	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN)	N(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCN)	122.5580	0.000	1	122.5580	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN)	N(NC[6a]H)(CNN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CNN)	118.7730	0.000	1	118.7730	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.9640	0.337	4	119.9640	0.113	4	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.4630	0.000	1	119.4630	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.4773	0.311	3	119.4773	0.097	3	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(CNS)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CNS)	118.7885	1.087	2	118.7885	1.181	2	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.2703	1.022	33	119.2703	1.045	33	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCH)	118.8293	1.026	22	118.8293	1.053	22	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCN)	119.9480	0.000	1	119.9480	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CC[3]C)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[3]C)	120.0230	0.000	1	120.0230	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CC[4]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[4]H)	118.2910	0.000	1	118.2910	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CC[5]C)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[5]C)	119.9865	0.659	4	119.9865	0.435	4	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CC[5]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[5]H)	118.7100	0.873	2	118.7100	0.761	2	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CC[6]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[6]H)	118.8995	1.078	6	118.8995	1.162	6	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CHH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CHH)	119.4410	0.000	1	119.4410	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(NC[6a]H)(CSiH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CSiH)	117.5650	0.000	1	117.5650	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|H<1>,1|S<4>}	N(NC[6a]H)(CCC)	122.6710	0.000	1	120.0909	1.572	8	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.7223	0.752	7	120.0909	1.572	8	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCN)	116.8220	0.000	1	116.8220	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	N(NC[6a]H)(CNN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CNN)	117.0900	0.000	1	117.0900	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.5610	0.690	2	119.5610	0.476	2	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	N(NC[6a]H)(CNN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CNN)	119.7110	0.000	1	119.7110	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Br<1>,1|C<3>,1|H<1>}	N(NC[6a]H)(CCC)	121.4545	0.080	2	119.6614	0.952	49	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]H)(CCC)	120.0325	1.623	4	119.6614	0.952	49	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	N(NC[6a]H)(CCC)	119.4420	0.000	1	119.6614	0.952	49	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	119.5360	0.877	39	119.6614	0.952	49	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	N(NC[6a]H)(CCC)	119.6045	0.947	2	119.6614	0.952	49	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){2|Cl<1>,1|C<3>}	N(NC[6a]H)(CCC)	119.8150	0.000	1	119.6614	0.952	49	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]H)(CCH)	119.9310	0.000	1	120.0946	0.137	5	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCH)	120.1355	0.413	4	120.0946	0.137	5	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCS)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCS)	119.9836	0.371	7	119.9836	0.138	7	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CC[5]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[5]H)	119.8590	0.431	2	119.8590	0.186	2	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CC[6]C)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[6]C)	119.2370	0.857	5	119.2370	0.735	5	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CC[6]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[6]H)	120.9587	1.604	3	120.9587	2.572	3	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CClC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CClC)	119.5096	0.943	12	119.5096	0.890	12	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CNN)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CNN)	120.7620	0.000	1	120.7620	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CNS)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CNS)	121.1017	0.585	3	121.1017	0.342	3	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CN[6]C)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CN[6]C)	119.6860	0.000	1	119.6860	0.000	1	119.5593	1.337	195	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(NCO)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NCO)	120.2900	0.000	1	120.2900	0.000	1	119.1693	1.190	6	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NCC)	117.9930	0.000	1	117.9930	0.000	1	119.1693	1.190	6	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(NC[6a]O)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a]O)	119.1833	1.050	4	119.1833	1.103	4	119.1693	1.190	6	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO)	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	N(C[6a]C[6a]2)(NC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	115.1330	0.544	4	115.1330	0.296	4	115.7039	0.531	18	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO)	N(C[6a]C[6a]2)(NC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO){1|C<3>,2|S<2>,3|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	115.4440	0.000	1	115.4440	0.000	1	115.7039	0.531	18	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	N(C[6a]C[6a]2)(NC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	116.1060	0.000	1	116.1060	0.000	1	115.7039	0.531	18	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO)	N(C[6a]C[6a]2)(NC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	115.9727	0.798	10	115.9727	0.636	10	115.7039	0.531	18	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]O)2(NNO)	N(C[6a]C[6a]2)(NC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]O)2(NNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)	115.4310	0.068	2	115.4310	0.005	2	115.7039	0.531	18	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	N(NC[6a]O)(NOO)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]O)(NOO)	115.4070	0.000	1	115.4070	0.000	1	116.7586	2.735	7	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO)	N(NC[6a]H)(NC[6a]O)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a]O)	117.9913	0.604	4	117.9913	0.365	4	116.7586	2.735	7	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO)	N(NC[6a]O)(NOO)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]O)(NOO)	115.6770	0.000	1	114.9690	1.003	2	116.7586	2.735	7	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO)	N(NC[6a]O)(NOO)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|N<3>}	N(NC[6a]O)(NOO)	114.2610	0.000	1	114.9690	1.003	2	116.7586	2.735	7	119.5214	1.959	640	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:O-2:N-2:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:O-2:	N(C[6a]C[6a,6a]C[6a])(ORh)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNO)	N(NC[6a]O)(ORh)	N(C[6a]C[6a,6a]C[6a])(ORh)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNO){2|H<1>,3|C<3>}	N(NC[6a]O)(ORh)	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	120.2087	0.308	4	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:2:	3:3:3:	3:2:	C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:	N(C[6a]C[6a]2)(OAl)(NO)	C[6a](C[6a]C[6a]H)2(NNO)	N(NC[6a]O)(OAl)	N(C[6a]C[6a]2)(OAl)(NO)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	N(NC[6a]O)(OAl)	120.4493	0.340	3	120.4493	0.115	3	120.4493	0.115	3	120.2087	0.308	4	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(NNN)	N(CC[6a]N)(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(NNN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]N)	114.5675	0.537	2	114.5675	0.288	2	114.5675	0.288	2	115.0485	1.132	4	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(NNN)	N(C[6a]C[6a]2)(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(NNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]N)	115.5295	1.477	2	115.5295	2.182	2	115.5295	2.182	2	115.0485	1.132	4	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(C[6a]C[6a]2)(NC[5])(CCHH)	C[6a](C[6a]C[6a]H)2(NCN)	N(C[5]C[5,6a]C[5])(NC[6a]C)	N(C[6a]C[6a]2)(NC[5])(CCHH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]C)	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:4:	3:3:3:	6:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:N-3:	Nb[5]-6:N-3:	N(C[6a]C[6a]2)(NNb[5])(CH3)	C[6a](C[6a]C[6a]H)2(NCN)	N(Nb[5]O[5]2Cl3)(NC[6a]C)	N(C[6a]C[6a]2)(NNb[5])(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(Nb[5]O[5]2Cl3)(NC[6a]C)	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN)	N(CC[6a]2)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]C)	120.5190	0.000	1	120.5190	0.000	1	120.3677	0.037	3	120.3677	0.037	3	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[6a]2)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]C)	120.2920	0.199	2	120.2920	0.040	2	120.3677	0.037	3	120.3677	0.037	3	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	123.0490	0.000	1	123.0490	0.000	1	121.3532	7.256	6	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	124.1570	0.000	1	124.1570	0.000	1	121.3532	7.256	6	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	121.5170	0.525	3	121.5170	0.275	3	121.3532	7.256	6	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	N(CC[5a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]C)	116.3620	0.000	1	116.3620	0.000	1	121.3532	7.256	6	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	N(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(CCH)	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(CC[5a]H)(NC[6a]2)	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]2)	119.0804	2.744	8	119.0804	7.531	8	119.2147	7.968	28	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(CC[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]2)	119.2684	2.922	20	119.2684	8.538	20	119.2147	7.968	28	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(NC[6a]2)(CCH)	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	N(NC[6a]2)(CCH)	118.9280	4.363	2	118.9280	19.034	2	118.9280	19.034	2	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:In-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(InCC)(NC)	C[6a](C[6a]C[6a]H)2(NInN)	N(NC[6a]In)(CC[6a]N)	N(C[6a]C[6a]2)(InCC)(NC)	C[6a](C[6a]C[6a]H)2(NInN){1|C<3>,2|H<1>}	N(NC[6a]In)(CC[6a]N)	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	119.4550	9.466	38	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:3:2:	3:3:3:	6:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	Nb[5]-6:N-3:	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(Nb[5]O[5]2Cl3)(NC[6a]2)	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	N(Nb[5]O[5]2Cl3)(NC[6a]2)	117.6335	1.672	10	117.6335	2.796	10	117.6335	2.796	10	117.6335	2.796	10	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[5a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|N<2>,1|N<3>}	N(CC[5a]H)(NC[6a]C)	116.1055	0.013	2	115.8637	0.112	4	116.0207	0.352	11	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[5a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]C)	115.6220	0.321	2	115.8637	0.112	4	116.0207	0.352	11	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|C<4>,1|N<2>}	N(CC[6a]H)(NC[6a]C)	116.4610	0.000	1	116.1104	0.505	7	116.0207	0.352	11	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	N(CC[6a]H)(NC[6a]C)	116.0435	0.705	2	116.1104	0.505	7	116.0207	0.352	11	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,1|N<2>,1|N<3>}	N(CC[6a]H)(NC[6a]C)	116.4817	0.332	3	116.1104	0.505	7	116.0207	0.352	11	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,2|C<3>}	N(CC[6a]H)(NC[6a]C)	114.7800	0.000	1	116.1104	0.505	7	116.0207	0.352	11	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:2:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N(NC[6a]C)(CC[5]H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	N(NC[6a]C)(CC[5]H)	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	115.9242	0.432	12	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN){2|H<1>,3|C<3>}	N(NC[6a]C)(O)	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	N(NC[6a]C)(O)	115.9147	0.404	6	115.9147	0.163	6	115.8478	0.182	13	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	N(NC[6a]C)(O)	115.2340	0.000	1	115.2340	0.000	1	115.8478	0.182	13	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(O)	116.2420	0.000	1	116.2420	0.000	1	115.8478	0.182	13	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(O)	116.0830	0.429	2	116.0830	0.184	2	115.8478	0.182	13	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)2(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(O)	115.7880	0.000	1	115.7880	0.000	1	115.8478	0.182	13	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:	N(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	N(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(O)	115.5520	0.578	2	115.5520	0.335	2	115.8478	0.182	13	116.2693	2.654	14	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(NCN)	N(NC[6a]C)(NC[5])	N(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(NC[5])	116.6800	0.000	1	116.6800	0.000	1	116.3070	0.278	2	116.3070	0.278	2	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(NCN)	N(NC[6a]C)(NC[6])	N(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(NC[6a]C)(NC[6])	115.9340	0.000	1	115.9340	0.000	1	116.3070	0.278	2	116.3070	0.278	2	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]C)	115.9760	0.272	2	115.9760	0.074	2	114.8140	4.088	3	114.8140	4.088	3	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	N(CC[6a]2)(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]C)	112.4900	0.000	1	112.4900	0.000	1	114.8140	4.088	3	114.8140	4.088	3	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP2_SP2_SP2	N	C[6a]	N	4:3:2:	3:3:3:	3:3:	C-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NCN)	N(C[5]C[5]N[5])(NC[6a]C)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(NC[6a]C)	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	119.3148	3.010	807	119.3148	3.010	807
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:2:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:2:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(NHN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(NHN){2|H<1>,5|C<3>}	N(NC[6a]H)(NC[6a])	116.0670	0.000	1	116.0670	0.000	1	116.0670	0.000	1	116.0670	0.000	1	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	115.5240	0.000	1	115.5240	0.000	1	118.1857	3.344	7	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[5a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[5a]H)(NC[6a]H)	119.4920	0.690	2	119.4920	0.476	2	118.1857	3.344	7	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]2)(NC[6a]H)	117.9180	0.000	1	117.9180	0.000	1	118.1857	3.344	7	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]H)	117.3690	0.000	1	117.3690	0.000	1	118.1857	3.344	7	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a]H)	120.7160	0.000	1	120.7160	0.000	1	118.1857	3.344	7	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(CC[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a]H)	116.7890	0.000	1	116.7890	0.000	1	118.1857	3.344	7	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	N(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCC)	116.0520	0.000	1	116.0520	0.000	1	118.4813	5.211	3	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]H)(CCC)	118.8100	0.000	1	118.8100	0.000	1	118.4813	5.211	3	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:1:	3:3:3:	3:3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(CCH)	120.5820	0.000	1	120.5820	0.000	1	118.4813	5.211	3	118.4917	3.587	11	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:4:	2:2:3:	3:3:	C[6a]-3:N-2:C-4:	N[6a]-2:S[6a]-2:N-3:	C[6]-3:N-3:	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN)	N(C[6]C[6,6a]2)(NC[6a]C)	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6,6a]2)(NC[6a]C)	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:2:4:	3:3:3:	3:3:	C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:	N(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)2(NCN)	N(C[6]C[6,6a]N[6])(NC[6a]C)	N(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(NC[6a]C)	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN)	N(CC[6a]2)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN){2|H<1>,3|C<3>}	N(CC[6a]2)(NC[6a]C)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	116.9172	9.995	17	116.9172	9.995	17
956	643	941	0:SP3_SP2_SP2	N	C[6a]	N	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	N(CC[6a]C)(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a]C)	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	116.9172	9.995	17	116.9172	9.995	17
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:2:3:	3:4:4:	C[6a]-3:P-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]N[6a])(PCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	P(NC[6a]H)(CCCH)2	N(C[6a]C[6a]N[6a])(PCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	P(NC[6a]H)(CCCH)2	125.1935	1.175	2	125.1935	1.379	2	125.1935	1.379	2	125.1935	1.379	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	P(C[6a]C[6a]2)2(NC[6a]H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]H)	123.6760	0.000	1	123.6760	0.000	1	121.5890	7.575	7	121.9491	8.323	11	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP)	P(C[6a]C[6a]2)2(NC[6a]H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]H)	121.0860	0.000	1	121.0860	0.000	1	121.5890	7.575	7	121.9491	8.323	11	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	P(C[6a]C[6a]2)2(NC[6a]H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]H)	121.2722	3.176	5	121.2722	10.085	5	121.5890	7.575	7	121.9491	8.323	11	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	N(C[6a]C[6a]2)(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	125.5110	0.198	2	125.5110	0.039	2	125.5110	0.039	2	121.9491	8.323	11	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(PNN)(H)	C[6a](C[6a]C[6a]C)2(NHP)	P(NC[6a]H)(NCC)2	N(C[6a]C[6a]2)(PNN)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	P(NC[6a]H)(NCC)2	119.6475	0.933	2	119.6475	0.870	2	119.6475	0.870	2	121.9491	8.323	11	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-4:N-3:	N(C[6a]C[6a]2)(PC[6]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	P(C[6]C[6]2H)2(NC[6a]H)	N(C[6a]C[6a]2)(PC[6]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	P(C[6]C[6]2H)2(NC[6a]H)	126.8670	1.201	2	126.8670	1.442	2	126.8670	1.442	2	126.8670	1.442	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:P-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeP)	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	125.5020	0.000	1	125.5020	0.000	1	123.1382	7.584	6	123.1382	7.584	6	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:P-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	C[6a](C[6a]C[6a]C)2(NGeP)	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	121.6112	1.731	4	121.6112	2.996	4	123.1382	7.584	6	123.1382	7.584	6	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:P-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(NGeP)	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	126.8820	0.000	1	126.8820	0.000	1	123.1382	7.584	6	123.1382	7.584	6	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:2:3:	4:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N[6a]-2:N-3:	C[6]-4:C[6]-4:N-3:	N(C[6a]C[6a]N[6a])2(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	P(C[6]C[6]2H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	P(C[6]C[6]2H)2(NC[6a]2)	120.9620	9.728	2	120.9620	94.641	2	120.9620	94.641	2	120.9620	94.641	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]2)2(NPP)	P(NC[6a]P)(Cl)2	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]2)2(NPP){2|H<1>,5|C<3>}	P(NC[6a]P)(Cl)2	111.0980	0.085	2	111.0980	0.007	2	118.6679	46.277	14	120.0400	37.247	20	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]C)2(NPP)	P(NC[6a]P)(Cl)2	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]C)2(NPP){1|C<3>,2|H<1>}	P(NC[6a]P)(Cl)2	111.1612	0.781	4	111.1612	0.610	4	118.6679	46.277	14	120.0400	37.247	20	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]H)2(NPP)	P(NC[6a]P)(Cl)2	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	P(NC[6a]P)(Cl)2	124.3137	0.824	8	124.3137	0.680	8	118.6679	46.277	14	120.0400	37.247	20	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:F-1:F-1:	N(C[6a]C[6a]2)(PFF)2	C[6a](C[6a]C[6a]H)2(NPP)	P(NC[6a]P)(F)2	N(C[6a]C[6a]2)(PFF)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	P(NC[6a]P)(F)2	122.0815	0.837	4	122.0815	0.700	4	122.0815	0.700	4	120.0400	37.247	20	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:P[4]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	C[6a](C[6a]C[6a]H)2(NP[4]P)	P(NC[6a]P[4])(Cl)2	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	C[6a](C[6a]C[6a]H)2(NP[4]P){1|C<3>,2|H<1>}	P(NC[6a]P[4])(Cl)2	125.5610	0.016	2	125.5610	0.000	2	125.5610	0.000	2	120.0400	37.247	20	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:	N(C[6a]C[6a]2)(POO)2	C[6a](C[6a]C[6a]H)2(NPP)	P(NC[6a]P)(OC[6a])2	N(C[6a]C[6a]2)(POO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	P(NC[6a]P)(OC[6a])2	122.2795	2.504	2	122.2795	6.269	2	122.2795	6.269	2	122.2795	6.269	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-2:	N(C[6a]C[6a]2)2(PC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	P(C[6a]C[6a]2)(NC[6a]2)(CC)	N(C[6a]C[6a]2)2(PC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6a]2)(CC)	120.1740	1.457	2	120.1740	2.122	2	120.1740	2.122	2	120.8280	2.353	4	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-2:	N(C[6a]C[6a]2)2(PCN)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	P(NC[6a]2)(NCC)(CW)	N(C[6a]C[6a]2)2(PCN)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	P(NC[6a]2)(NCC)(CW)	121.4820	1.796	2	121.4820	3.226	2	121.4820	3.226	2	120.8280	2.353	4	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)2(NNP)	P(C[6a]C[6a]2)2(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]N)	131.4725	1.030	2	131.4725	1.061	2	131.4725	1.061	2	123.2171	19.631	13	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(BC[6]2)	C[6a](C[6a]C[6a]C)2(NBP)	P(C[6a]C[6a]2)2(NC[6a]B)	N(C[6a]C[6a]2)(PC[6a]2)(BC[6]2)	C[6a](C[6a]C[6a]C)2(NBP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]B)	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	123.2171	19.631	13	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C[6a](C[6a]C[6a]C)2(NCP)	P(C[6a]C[6a]2)2(NC[6a]C)	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]C)	123.4770	0.000	1	123.4770	0.000	1	123.4770	0.000	1	123.2171	19.631	13	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP)	P(C[6a]C[6a]2)2(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<2>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(NC[6a]P)	120.9880	0.000	1	121.7770	9.099	8	121.7770	9.099	8	123.2171	19.631	13	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP)	P(C[6a]C[6a]2)2(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]P)	121.8897	3.240	7	121.7770	9.099	8	121.7770	9.099	8	123.2171	19.631	13	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Si[4]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]P)	P(C[6a]C[6a]2)2(NC[6a]Si[4])	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si[4])	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	123.2171	19.631	13	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:Cl-1:	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	P(NC[6a]2)(CC3)(Cl)	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	P(NC[6a]2)(CC3)(Cl)	122.7260	11.345	2	122.7260	128.705	2	122.7260	128.705	2	122.7260	128.705	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:P-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	P(C[6a]C[6a]2)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]C)	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP)	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	118.1830	2.000	2	118.1830	3.999	2	118.1830	3.999	2	120.0456	37.735	5	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:P-3:Ge-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	C[6a](C[6a]C[6a]C)2(NGeP)	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1	120.0456	37.735	5	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:P-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSiP)	P(C[6a]C[6a]2)2(NC[6a]Si)	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si)	124.7920	0.000	1	124.7920	0.000	1	118.3400	83.257	2	120.0456	37.735	5	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:P-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	C[6a](C[6a]C[6a]C)2(NSiP)	P(C[6a]C[6a]2)2(NC[6a]Si)	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si)	111.8880	0.000	1	111.8880	0.000	1	118.3400	83.257	2	120.0456	37.735	5	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:4:3:	3:2:3:	3:2:2:	C[6a]-3:C-4:P-3:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-2:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	P(NC[6a]C)(OC[6a])2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	P(NC[6a]C)(OC[6a])2	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(CCHH)(PCl2)	C[6a](C[6a]C[6a]C)2(NCP)	P(NC[6a]C)(Cl)2	N(C[6a]C[6a]2)(CCHH)(PCl2)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	P(NC[6a]C)(Cl)2	114.8630	0.263	2	114.8630	0.069	2	114.8630	0.069	2	113.5603	5.125	3	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:Si-4:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(SiC3)(PCl2)	C[6a](C[6a]C[6a]2)2(NSiP)	P(NC[6a]Si)(Cl)2	N(C[6a]C[6a]2)(SiC3)(PCl2)	C[6a](C[6a]C[6a]2)2(NSiP){2|H<1>,5|C<3>}	P(NC[6a]Si)(Cl)2	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	113.5603	5.125	3	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:Si-4:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSiP)	P(C[6a]C[6a]2)2(NC[6a]Si)	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si)	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	4:3:3:	3:3:3:	3:3:3:	Si[4]-4:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]P)	P(C[6a]C[6a]2)2(NC[6a]Si[4])	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si[4])	123.5940	0.000	1	123.5940	0.000	1	123.5940	0.000	1	123.6960	0.021	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP2_SP2_SP3	N	C[6a]	P	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[5]P)	P(C[6a]C[6a]2)2(NC[6a]Si[5])	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[5]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si[5])	123.7980	0.000	1	123.7980	0.000	1	123.7980	0.000	1	123.6960	0.021	2	121.3624	25.315	77	121.3624	25.315	77
956	643	945	0:SP3_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(PCl2)(H)	C[6a](C[6a]C[6a]2)2(NHP)	P(NC[6a]H)(Cl)2	N(C[6a]C[6a]2)(PCl2)(H)	C[6a](C[6a]C[6a]2)2(NHP){2|H<1>,5|C<3>}	P(NC[6a]H)(Cl)2	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	120.9698	3.560	6	120.9698	3.560	6
956	643	945	0:SP3_SP2_SP3	N	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP)	P(C[6a]C[6a]2)2(NC[6a]H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]H)	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	120.9698	3.560	6	120.9698	3.560	6
956	643	945	0:SP3_SP2_SP3	N	C[6a]	P	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:P-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeP)	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	119.8150	0.000	1	119.8150	0.000	1	121.7715	7.656	2	121.7715	7.656	2	120.9698	3.560	6	120.9698	3.560	6
956	643	945	0:SP3_SP2_SP3	N	C[6a]	P	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:P-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(NGeP)	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	123.7280	0.000	1	123.7280	0.000	1	121.7715	7.656	2	121.7715	7.656	2	120.9698	3.560	6	120.9698	3.560	6
956	643	945	0:SP3_SP2_SP3	N	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	C[6a](C[6a]C[6a]H)2(NNP)	P(NC[6a]N)(CCCH)2	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	P(NC[6a]N)(CCCH)2	120.3680	0.000	2	120.3680	0.000	2	120.3680	0.000	2	120.3680	0.000	2	120.9698	3.560	6	120.9698	3.560	6
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	119.9850	0.000	1	119.9850	0.000	1	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	113.4825	4.379	2	118.6660	7.068	22	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.9823	0.043	6	118.6660	7.068	22	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]H)	118.8380	3.188	2	118.6660	7.068	22	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	118.9014	2.417	10	118.6660	7.068	22	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	118.5510	1.324	2	118.6660	7.068	22	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	119.9890	0.008	2	119.9890	0.000	2	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.4353	0.930	14	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.9995	0.047	2	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]H)	120.0120	0.033	4	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	120.2911	1.351	8	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	119.8388	2.198	36	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6a]H)	119.4184	1.565	12	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	H(NC[6a]H)	118.9813	2.158	4	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	H(NC[6a]H)	117.2296	4.244	8	119.4938	4.749	88	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	120.0260	0.025	2	119.2245	1.930	12	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.2160	1.308	4	119.2245	1.930	12	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|O<2>}	H(NC[6a]H)	119.9755	0.397	2	119.2245	1.930	12	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	119.9785	0.037	2	119.2245	1.930	12	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){3|C<3>}	H(NC[6a]H)	116.9350	1.377	2	119.2245	1.930	12	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.9825	0.032	2	118.0280	2.526	6	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	117.0507	0.624	4	118.0280	2.526	6	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|C<4>}	H(NC[6a]H)	118.9010	0.858	2	119.0634	10.019	32	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	120.3773	1.925	10	119.0634	10.019	32	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<2>}	H(NC[6a]H)	119.9740	0.052	2	119.0634	10.019	32	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	118.2503	3.801	18	119.0634	10.019	32	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<2>,1|C<3>,1|C<4>}	H(NC[6a]H)	119.7585	1.124	4	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]H)	118.7733	1.418	13	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	119.9855	0.016	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	118.8501	2.414	25	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	120.0123	0.045	3	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.8659	1.366	378	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<4>}	H(NC[6a]H)	119.9635	0.067	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|S<2>}	H(NC[6a]H)	120.0365	0.035	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]H)	119.8674	1.749	45	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	120.4365	1.662	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<2>}	H(NC[6a]H)	118.7555	1.262	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<4>}	H(NC[6a]H)	119.6360	1.501	59	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.4965	2.618	82	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	119.7189	1.589	30	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	H(NC[6a]H)	119.8872	0.614	54	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|S<2>}	H(NC[6a]H)	117.8788	2.969	6	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.7268	2.094	32	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	119.1163	1.332	22	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|C<4>}	H(NC[6a]H)	120.0049	0.071	15	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6a]H)	119.0820	1.542	50	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|O<2>}	H(NC[6a]H)	118.3100	0.701	4	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	118.3438	2.252	14	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.1485	1.755	6	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.5225	0.244	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.1688	1.773	18	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,1|N<3>,1|N<4>}	H(NC[6a]H)	119.9871	0.071	13	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<3>}	H(NC[6a]H)	119.9943	0.021	3	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<4>}	H(NC[6a]H)	118.9295	0.907	4	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	119.9750	0.061	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	H(NC[6a]H)	119.6754	2.692	155	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|O<2>}	H(NC[6a]H)	118.7410	0.212	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|S<2>}	H(NC[6a]H)	118.3815	0.805	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<3>,2|N<2>}	H(NC[6a]H)	120.9915	3.903	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	H(NC[6a]H)	120.5985	0.801	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|S<2>,2|C<3>}	H(NC[6a]H)	120.0590	0.034	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){2|Cl<1>,1|C<3>}	H(NC[6a]H)	113.0775	1.146	2	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	H(NC[6a]H)	118.9418	2.368	12	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){3|N<2>}	H(NC[6a]H)	122.6625	1.582	4	119.6378	3.479	1077	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	H(NC[6a]H)	120.0021	0.026	8	120.0021	0.001	8	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(NHH){1|C<3>}	H(NC[6a]H)	119.9865	0.013	2	119.9865	0.000	2	119.5879	3.762	1250	119.5879	3.762	1250	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:Cl-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH)	H(NC[6a]Cl)	N(C[6a]C[6a]N[6a])(Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH){1|H<1>,2|C<3>}	H(NC[6a]Cl)	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	119.9985	0.019	2	119.9985	0.000	2	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|C<2>,1|C<3>,1|N<3>}	H(NC[6a]H)	119.9750	0.083	2	119.5900	0.441	6	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	H(NC[6a]H)	119.3975	0.764	4	119.5900	0.441	6	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	117.9680	0.840	2	117.9680	0.706	2	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	114.0045	5.495	2	117.6810	41.983	4	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|N<2>,1|N<3>}	H(NC[6a]H)	121.3575	6.457	2	117.6810	41.983	4	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]H)	118.8522	2.130	4	119.4704	2.655	9	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	H(NC[6a]H)	119.9650	1.104	5	119.4704	2.655	9	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	120.0314	0.042	10	120.0314	0.002	10	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	119.9610	0.000	1	119.9610	0.000	1	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	116.4800	5.455	6	117.2632	24.705	8	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	H(NC[6a]H)	119.6130	3.073	2	117.2632	24.705	8	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	118.0853	1.765	6	119.2747	5.618	22	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	120.0270	0.021	2	119.2747	5.618	22	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.6769	2.639	14	119.2747	5.618	22	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.1150	3.770	4	119.1150	14.215	4	119.0929	7.995	68	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.8486	1.380	96	119.8486	1.904	96	119.6089	3.485	160	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.1376	2.522	56	119.1376	6.360	56	119.6089	3.485	160	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.0478	0.901	6	120.0478	0.812	6	119.6089	3.485	160	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	H(NC[6a]H)	119.9830	0.099	2	119.9830	0.010	2	119.6089	3.485	160	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	O[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]O[6a])(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]O[6a])(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	H(NC[6a]H)	117.8020	0.834	2	117.8020	0.696	2	117.8020	0.696	2	119.4555	4.872	231	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH){1|O<1>,4|C<3>}	H(NC[6a]H)	121.2640	1.882	2	121.2640	3.543	2	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]H)	120.0280	0.018	2	120.0113	0.002	8	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	H(NC[6a]H)	120.0035	0.005	2	120.0113	0.002	8	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]H)	120.0150	0.008	2	120.0113	0.002	8	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(NC[6a]H)	119.9985	0.118	2	120.0113	0.002	8	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	118.2285	1.339	2	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]H)	118.9477	2.099	10	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	H(NC[6a]H)	119.2035	1.793	2	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0285	0.083	2	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Os<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0245	0.078	2	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.2482	0.252	4	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0105	0.037	2	119.3942	2.387	24	119.6494	2.009	34	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	H(NC[6a]H)	118.1755	1.422	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	H(NC[6a]H)	124.3650	10.550	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.9898	0.046	4	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,1|N<3>,2|N<2>}	H(NC[6a]H)	120.0200	0.035	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0020	0.017	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.9890	0.026	8	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.5562	1.416	6	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	120.0090	0.008	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(NC[6a]H)	119.9740	0.081	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]H)	120.6135	2.300	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(NC[6a]H)	119.9970	0.018	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0105	0.029	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	H(NC[6a]H)	119.9855	0.008	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	H(NC[6a]H)	118.5310	2.044	2	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	H(NC[6a]H)	119.9620	0.000	1	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	H(NC[6a]H)	119.3382	1.883	10	119.8807	4.388	51	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	H(NC[6a]H)	119.9887	0.053	4	119.9887	0.003	4	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	H(NC[6a]H)	119.9975	0.045	2	119.9975	0.002	2	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(NC[6a]H)	121.4725	8.418	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(NC[6a]H)	118.7050	2.181	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.6725	0.350	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.6701	1.737	186	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]H)	120.8755	3.941	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]H)	118.4530	1.629	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	H(NC[6a]H)	119.3104	1.678	26	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	119.4851	1.192	9	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]H)	118.6735	5.395	4	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	H(NC[6a]H)	120.0010	0.017	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]H)	115.1105	1.890	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	H(NC[6a]H)	119.9635	0.023	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|Rh<5>,1|C<3>,1|N<3>,2|N<2>}	H(NC[6a]H)	119.9565	0.028	2	119.5851	3.666	243	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	120.0080	0.068	2	120.0080	0.005	2	119.6459	3.692	302	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|O<2>,3|C<3>}	H(NC[6a]H)	119.9525	0.028	2	119.2095	2.648	6	119.2095	2.648	6	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|S<2>,3|C<3>}	H(NC[6a]H)	117.6730	2.479	2	119.2095	2.648	6	119.2095	2.648	6	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){2|N<3>,3|C<3>}	H(NC[6a]H)	120.0030	0.078	2	119.2095	2.648	6	119.2095	2.648	6	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	121.3255	2.162	4	121.3255	4.675	4	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(NC[6a]H)	119.2685	4.485	2	119.0770	7.174	6	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(NC[6a]H)	118.2760	3.687	2	119.0770	7.174	6	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|O<2>,3|C<3>}	H(NC[6a]H)	119.6865	0.244	2	119.0770	7.174	6	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]H)	119.9775	0.030	2	119.9775	0.001	2	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	119.8972	1.887	4	119.8972	3.561	4	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(NC[6a]H)	119.9925	0.036	2	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	119.8690	0.259	2	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,1|S<2>,2|C<3>}	H(NC[6a]H)	120.0080	0.010	2	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	120.0317	0.034	3	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	H(NC[6a]H)	120.3782	0.993	6	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	121.0080	3.196	4	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	119.8095	0.950	2	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	H(NC[6a]H)	120.0115	0.028	11	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]H)	119.3260	0.625	3	120.1102	1.274	35	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0457	0.034	3	118.7813	1.859	9	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,2|N<2>}	H(NC[6a]H)	118.1492	1.239	6	118.7813	1.859	9	119.8700	2.436	60	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH){1|B<4>,3|C<3>}	H(NC[6a]H)	119.9900	0.011	2	119.9900	0.000	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH){2|N<2>,2|N<3>}	H(NC[6a]H)	120.0090	0.017	2	120.0090	0.000	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	119.9840	0.025	2	119.9840	0.001	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	H(NC[6a]H)	116.7960	3.891	2	116.7960	15.136	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	H(NC[6a]H)	116.5095	3.208	2	116.5095	10.292	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]H)	119.6728	3.050	10	119.6248	6.272	16	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	H(NC[6a]H)	118.6600	2.821	2	119.6248	6.272	16	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,4|C<3>}	H(NC[6a]H)	119.9890	0.013	2	119.6248	6.272	16	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	119.9850	0.031	2	119.6248	6.272	16	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	119.6050	4.885	2	119.9357	5.714	8	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	120.0460	1.780	6	119.9357	5.714	8	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	120.5970	1.855	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]H)	120.0060	0.058	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	121.6575	4.528	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	120.0081	0.045	12	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,1|N<2>}	H(NC[6a]H)	120.6287	4.059	8	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	120.5272	1.793	12	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a]H)	119.9875	0.054	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.0178	1.540	9	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.9894	0.035	11	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.9410	0.197	16	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<2>,2|C<3>}	H(NC[6a]H)	120.0010	0.021	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	H(NC[6a]H)	119.6225	1.411	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	119.4147	0.956	3	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	H(NC[6a]H)	119.9350	2.276	8	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	H(NC[6a]H)	120.0200	0.000	1	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	H(NC[6a]H)	119.9800	0.013	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Se<2>,2|C<3>}	H(NC[6a]H)	118.0625	0.480	2	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	H(NC[6a]H)	118.7581	2.433	13	119.8438	3.270	109	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	115.6880	0.984	2	119.2562	5.766	36	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	120.8370	3.881	2	119.2562	5.766	36	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.4712	2.873	10	119.2562	5.766	36	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.9785	0.078	2	119.2562	5.766	36	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|N<2>,2|C<4>}	H(NC[6a]H)	119.2752	2.046	20	119.2562	5.766	36	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]H)	120.3555	0.463	2	119.1390	5.298	104	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|N<3>}	H(NC[6a]H)	118.4290	1.021	2	119.1390	5.298	104	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	H(NC[6a]H)	117.4070	0.594	2	119.1390	5.298	104	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.1640	2.346	98	119.1390	5.298	104	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	118.7116	1.901	8	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]H)	120.0000	0.037	4	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	117.8407	3.211	26	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	119.2843	1.205	11	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	121.6010	1.392	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|C<4>}	H(NC[6a]H)	119.9860	0.055	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.1716	2.466	54	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	H(NC[6a]H)	117.5835	11.456	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	120.0340	0.542	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<4>,1|N<2>}	H(NC[6a]H)	119.9885	0.015	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a]H)	120.9270	0.419	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.8297	1.678	3	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.5516	1.876	16	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<2>}	H(NC[6a]H)	118.8290	0.358	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.3274	1.829	150	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	118.2365	0.196	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6a]H)	119.1306	2.149	51	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	H(NC[6a]H)	120.0100	0.054	2	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	H(NC[6a]H)	120.0200	0.000	1	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	119.7707	3.200	6	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	H(NC[6a]H)	119.7023	1.804	22	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<2>,2|C<3>}	H(NC[6a]H)	119.9740	0.000	1	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	H(NC[6a]H)	119.9960	0.000	1	119.2325	4.740	372	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	119.9805	0.012	2	119.9805	0.000	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.1803	1.964	6	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0128	0.022	6	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	118.9948	3.511	12	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.9958	0.065	4	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	117.2665	4.569	2	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|O<1>}	H(NC[6a]H)	117.9870	0.472	2	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6a]H)	118.5565	0.964	2	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	H(NC[6a]H)	119.9955	0.018	4	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	118.9390	0.249	2	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	H(NC[6a]H)	119.9947	0.046	3	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	H(NC[6a]H)	119.9925	0.023	4	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	H(NC[6a]H)	118.9295	1.277	4	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	119.9905	0.023	2	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	H(NC[6a]H)	119.5209	1.637	40	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){2|Cl<1>,1|N<2>}	H(NC[6a]H)	120.0965	0.428	2	119.4236	3.345	95	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH){1|N<3>,3|C<3>}	H(NC[6a]H)	119.8710	1.736	16	119.8710	3.013	16	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	H(NC[6a]H)	118.8460	2.091	4	118.8460	4.371	4	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]H)	120.3642	2.793	17	120.4849	7.194	19	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){2|C<3>,2|N<2>}	H(NC[6a]H)	121.5105	1.528	2	120.4849	7.194	19	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	116.8801	4.280	8	116.8801	18.318	8	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	118.4899	2.748	10	118.4899	7.549	10	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	117.8815	1.871	6	118.9322	5.659	15	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	119.4558	3.166	6	118.9322	5.659	15	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	H(NC[6a]H)	119.9863	0.020	3	118.9322	5.659	15	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	H(NC[6a]H)	119.5950	3.801	2	118.7853	5.732	4	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|N<3>,3|N<2>}	H(NC[6a]H)	117.9755	0.351	2	118.7853	5.732	4	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	119.2283	2.407	6	118.5140	5.889	8	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	H(NC[6a]H)	116.3710	0.120	2	118.5140	5.889	8	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	119.3922	2.404	14	119.3922	5.781	14	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	117.7555	2.771	2	119.7579	4.248	10	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	120.2585	1.713	8	119.7579	4.248	10	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	119.9920	0.016	4	119.9920	0.000	4	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	118.4355	1.645	2	118.4355	2.707	2	119.3326	4.792	866	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:N-3:	N-3:	N(C[6a]C[6a]O[6a])(H)2	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]O[6a])(H)2	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH){1|O<1>,2|C<3>}	H(NC[6a]H)	117.7015	1.913	4	117.7015	3.661	4	117.7015	3.661	4	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(NC[6a]H)	119.2597	1.687	6	118.9616	3.377	8	119.0919	4.181	12	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]H)	118.0675	2.698	2	118.9616	3.377	8	119.0919	4.181	12	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH){2|C<3>,2|N<2>}	H(NC[6a]H)	120.2010	4.178	2	120.2010	17.452	2	119.0919	4.181	12	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,3|N<2>}	H(NC[6a]H)	118.5040	1.269	2	118.5040	1.609	2	119.0919	4.181	12	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a,6a]N[6a])(H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a,6a]N[6a])(H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	H(NC[6a]H)	114.6615	1.994	4	114.6615	3.974	4	114.6615	3.974	4	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.0035	0.036	2	120.0035	0.001	2	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(NC[6a]H)	118.0645	2.634	2	118.0645	6.938	2	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(NC[6a]H)	119.6791	2.851	32	119.2853	5.967	80	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6a]H)	118.5300	2.018	5	119.2853	5.967	80	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.1702	1.822	37	119.2853	5.967	80	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	H(NC[6a]H)	117.7790	4.659	4	119.2853	5.967	80	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	H(NC[6a]H)	120.0135	0.039	2	119.2853	5.967	80	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	H(NC[6a]H)	118.6499	1.615	8	118.6499	2.610	8	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]Pt)(N[6a]C[5,6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]Pt)(N[6a]C[5,6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	121.0258	1.814	4	121.0258	3.291	4	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	H(NC[6a]H)	120.0340	0.039	6	120.0340	0.001	6	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(NC[6a]H)	118.4180	6.333	2	118.4180	40.105	2	119.3202	5.541	104	119.4098	4.500	1392	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	113.7240	3.847	2	113.7240	14.797	2	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(NC[6a]H)	120.0210	0.023	2	120.0210	0.001	2	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.9925	0.062	6	117.4955	14.605	14	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(NC[6a]H)	119.9810	0.033	2	117.4955	14.605	14	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]H)	118.0900	0.494	2	117.4955	14.605	14	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	H(NC[6a]H)	112.2100	3.021	4	117.4955	14.605	14	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]H)	114.7850	2.509	2	114.7850	6.294	2	117.0998	13.880	20	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]H)	120.0028	0.196	4	120.0028	0.038	4	120.0028	0.038	4	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	H(NC[6a]H)	120.0020	0.052	2	120.0020	0.003	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	H(NC[6a]H)	118.8920	2.341	2	118.8920	5.478	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]H)	112.5410	1.079	2	112.5410	1.164	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH){1|C<4>,1|N<3>,3|C<3>}	H(NC[6a]H)	112.6655	1.375	4	112.6655	1.890	4	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH){1|C<4>,1|N<3>,3|C<3>}	H(NC[6a]H)	114.9758	5.808	4	114.9758	33.739	4	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	H(NC[6a]H)	120.0210	0.011	2	120.0210	0.000	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|N<3>}	H(NC[6a]H)	114.5360	0.109	2	114.5360	0.012	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]H)	119.9980	0.016	3	119.9980	0.000	3	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	H(NC[6a]H)	119.9990	0.035	4	119.9990	0.001	4	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH){1|N<2>,5|C<3>}	H(NC[6a]H)	120.8675	0.138	2	120.8675	0.019	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|N<2>}	H(NC[6a]H)	119.9735	0.022	2	119.9735	0.000	2	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	H(NC[6a]H)	118.3912	3.428	4	118.3912	11.749	4	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<3>,3|N<2>}	H(NC[6a]H)	119.3804	1.043	7	119.3804	1.088	7	117.8362	12.108	40	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.0150	0.134	2	120.0122	0.006	4	120.3970	8.361	8	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.0095	0.018	2	120.0122	0.006	4	120.3970	8.361	8	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.7818	4.371	4	120.7818	19.108	4	120.3970	8.361	8	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(NHH){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(NC[6a]H)	114.8195	0.803	2	114.8195	0.644	2	114.8195	0.644	2	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]H)	120.0075	0.032	2	120.0075	0.001	2	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]H)	119.9750	0.014	2	119.9750	0.000	2	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	H(NC[6a]H)	120.2220	0.451	2	120.1414	12.744	14	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(NC[6a]H)	120.0030	0.064	2	120.1414	12.744	14	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]H)	117.6440	6.329	2	120.1414	12.744	14	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]H)	119.4480	0.167	2	120.1414	12.744	14	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]H)	123.6448	0.309	4	120.1414	12.744	14	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	116.3830	5.853	2	120.1414	12.744	14	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH){1|O<2>,2|C<3>,2|N<3>}	H(NC[6a]H)	120.0150	0.046	4	120.0150	0.002	4	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.9890	0.034	4	116.9893	21.178	26	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(NC[6a]H)	118.3525	2.381	2	116.9893	21.178	26	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	119.9940	0.037	2	116.9893	21.178	26	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]H)	113.7761	5.014	12	116.9893	21.178	26	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]H)	119.9602	1.586	6	116.9893	21.178	26	118.4110	17.231	48	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	116.3612	4.651	4	116.3612	21.632	4	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	119.9810	0.013	2	119.9810	0.000	2	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	121.7258	2.584	4	121.7258	6.675	4	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]H)	115.4730	2.824	2	115.4730	7.976	2	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	120.0310	0.655	2	120.0310	0.429	2	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(NC[6a]H)	121.1950	2.924	6	121.1950	8.552	6	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	119.9945	0.036	2	118.3758	17.641	13	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]H)	120.0248	2.598	4	118.3758	17.641	13	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	120.0083	0.045	3	118.3758	17.641	13	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	114.6930	6.139	4	118.3758	17.641	13	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH){1|O<1>,2|C<3>,2|N<3>}	H(NC[6a]H)	118.8538	4.388	16	118.8538	19.250	16	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	119.9840	0.023	2	116.5690	18.910	32	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]H)	120.0000	0.007	2	116.5690	18.910	32	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]H)	117.3042	3.734	4	116.5690	18.910	32	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]H)	120.0130	0.050	3	116.5690	18.910	32	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	117.5115	1.749	2	116.5690	18.910	32	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	115.0506	4.779	19	116.5690	18.910	32	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	120.0160	0.016	2	120.0160	0.000	2	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,3|C<3>}	H(NC[6a]H)	119.9935	0.028	2	119.9935	0.001	2	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH){1|H<1>,3|C<3>}	H(NC[6a]H)	117.7260	0.751	2	117.7260	0.564	2	118.1231	17.135	87	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	121.5878	3.112	6	121.5878	9.686	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	120.8195	0.899	2	120.8195	0.808	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH){1|O<2>,2|C<3>}	H(NC[6a]H)	120.0170	0.035	2	120.0170	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	120.0741	5.327	13	120.0741	28.382	13	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	118.3273	2.021	19	118.3273	4.083	19	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	116.7466	7.147	18	117.7087	34.270	32	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	116.2130	1.642	2	117.7087	34.270	32	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	120.6405	5.826	4	117.7087	34.270	32	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	118.7814	1.883	8	117.7087	34.270	32	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]H)	114.3085	1.987	4	114.3085	3.947	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	120.0160	0.023	2	120.0160	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	117.4998	3.188	4	118.5656	6.848	7	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.9867	0.016	3	118.5656	6.848	7	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.6535	1.238	2	119.6535	1.533	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH){1|N<2>,1|N<3>}	H(NC[6a]H)	120.0050	0.027	2	120.0050	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]H)	109.1210	0.112	2	117.2526	19.010	15	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]H)	118.8683	3.282	8	117.2526	19.010	15	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(NC[6a]H)	120.0000	0.012	3	117.2526	19.010	15	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	114.8005	1.710	2	117.2526	19.010	15	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	120.6767	1.559	10	120.3331	2.177	24	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.9840	0.043	4	120.3331	2.177	24	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	H(NC[6a]H)	120.1291	1.704	10	120.3331	2.177	24	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	H(NC[6a]H)	119.3055	0.695	2	119.3055	0.483	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	118.1877	3.303	28	118.1911	10.171	30	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	118.2380	0.680	2	118.1911	10.171	30	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	117.7668	3.099	4	118.2148	8.208	5	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	120.0070	0.000	1	118.2148	8.208	5	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	118.6791	2.232	14	118.6791	4.983	14	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	118.7290	1.158	2	118.7290	1.342	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,6|C<3>}	H(NC[6a]H)	117.2435	0.837	2	117.2435	0.700	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	116.1038	4.722	4	116.1038	22.301	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH){1|C<4>,4|C<3>}	H(NC[6a]H)	118.4315	3.193	2	118.4315	10.193	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH){1|C<3>,1|F<1>,1|N<2>}	H(NC[6a]H)	115.7725	0.233	2	118.1743	4.259	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH){1|F<1>,2|C<3>}	H(NC[6a]H)	119.3752	1.145	4	118.1743	4.259	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NHH){3|C<3>}	H(NC[6a]H)	120.0123	0.031	6	120.0123	0.001	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.9705	0.018	2	118.3653	8.702	20	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	117.9254	3.437	10	118.3653	8.702	20	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	118.5139	2.719	8	118.3653	8.702	20	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	118.2794	2.784	14	118.2794	7.749	14	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	119.3300	0.689	2	119.3300	0.474	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH){2|C<3>}	H(NC[6a]H)	118.2295	1.754	2	118.2295	3.078	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NHH){2|C<3>}	H(NC[6a]H)	116.3925	1.527	2	116.3925	2.331	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	113.9275	0.887	2	113.9275	0.788	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	119.9935	0.028	2	119.9935	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.7327	3.500	4	119.7327	12.247	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]H)	119.9830	0.007	2	119.8967	0.410	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	H(NC[6a]H)	119.7120	1.394	2	119.8967	0.410	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|S<2>,4|C<3>}	H(NC[6a]H)	119.9950	0.040	2	119.8967	0.410	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]H)	119.0655	1.917	2	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]H)	117.9365	0.404	2	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]H)	118.3557	1.592	6	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|O<2>,3|C<3>}	H(NC[6a]H)	120.0250	0.010	2	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	116.6435	2.453	4	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	119.9958	0.044	4	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	118.7957	4.192	11	118.6290	7.985	31	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|C<2>,1|N<2>,5|C<3>}	H(NC[6a]H)	120.0000	0.035	4	120.1661	0.156	8	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|H<1>,6|C<3>}	H(NC[6a]H)	120.6570	0.666	2	120.1661	0.156	8	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){2|H<1>,5|C<3>}	H(NC[6a]H)	120.0075	0.035	2	120.1661	0.156	8	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	120.8265	1.313	6	120.8265	1.724	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.9654	4.227	8	119.9654	17.865	8	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.1645	1.304	4	119.7280	2.518	8	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	120.2915	1.825	4	119.7280	2.518	8	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.1775	2.364	10	119.1403	4.744	12	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){3|C<3>}	H(NC[6a]H)	118.9545	1.343	2	119.1403	4.744	12	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH){1|C<2>,1|C<3>,1|F<1>}	H(NC[6a]H)	119.9935	0.006	2	119.9935	0.000	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	119.9910	0.040	2	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]H)	121.1550	3.577	2	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	119.2491	0.776	8	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]H)	120.3590	0.120	2	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	115.6490	2.273	2	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	118.0873	2.509	39	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	116.7847	3.272	12	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	120.0255	0.086	4	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|N<4>,1|S<4>}	H(NC[6a]H)	117.1365	3.594	2	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	118.4564	3.237	269	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	120.1268	1.801	10	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	116.6547	4.615	12	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6a]H)	118.2725	2.632	6	118.3920	9.929	370	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	120.0090	0.013	2	118.9260	3.582	20	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	118.8057	1.962	18	118.9260	3.582	20	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	114.5002	4.080	4	114.5002	16.646	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	118.3625	6.451	2	118.3625	41.615	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	120.0385	0.009	4	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	117.5547	3.759	8	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|C<4>}	H(NC[6a]H)	114.4230	3.766	6	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	116.7719	4.948	80	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6a]H)	116.4153	4.687	4	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|O<2>}	H(NC[6a]H)	117.4145	3.989	2	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|S<2>}	H(NC[6a]H)	120.0405	0.125	2	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	112.8760	6.193	3	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	118.5720	2.414	2	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	H(NC[6a]H)	119.9730	2.125	6	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	H(NC[6a]H)	120.0056	0.121	18	117.3716	19.758	135	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]H)	113.7595	0.968	2	117.6913	10.904	7	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6a]H)	120.0150	0.060	3	117.6913	10.904	7	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,3|H<1>}	H(NC[6a]H)	118.1375	4.119	2	117.6913	10.904	7	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,2|N<3>,3|H<1>}	H(NC[6a]H)	111.5660	0.850	2	112.3263	1.053	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(NC[6a]H)	113.0865	0.353	2	112.3263	1.053	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]H)	119.9830	0.011	2	119.9830	0.000	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.0120	0.704	2	117.0120	0.496	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH){1|N<2>,2|F<1>}	H(NC[6a]H)	121.7360	3.400	2	121.7360	11.558	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	119.8396	5.783	14	120.1827	12.540	44	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	120.0080	0.030	2	120.1827	12.540	44	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	120.5581	2.204	16	120.1827	12.540	44	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	120.4520	1.855	6	120.1827	12.540	44	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.7140	0.352	4	120.1827	12.540	44	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>}	H(NC[6a]H)	119.8865	2.920	2	120.1827	12.540	44	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	115.9181	3.925	17	117.5723	15.521	27	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|Cl<1>,1|C<3>,1|N<2>}	H(NC[6a]H)	117.9020	0.321	2	117.5723	15.521	27	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|F<1>,1|N<2>,1|O<2>}	H(NC[6a]H)	119.9890	0.010	2	117.5723	15.521	27	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|N<2>,2|F<1>}	H(NC[6a]H)	121.3437	1.626	6	117.5723	15.521	27	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	118.4455	1.162	2	114.0730	25.960	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	109.7005	0.237	2	114.0730	25.960	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	H(NC[6a]H)	116.0010	6.169	14	116.3397	33.929	16	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|N<2>,2|F<1>}	H(NC[6a]H)	118.7105	1.163	2	116.3397	33.929	16	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	119.9917	0.023	4	119.0284	6.628	24	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	118.8357	2.791	20	119.0284	6.628	24	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	119.9955	0.077	2	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]H)	118.1696	2.785	7	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	118.2567	2.800	16	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	119.5250	2.440	4	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	117.2205	4.249	24	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	116.6110	3.926	4	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	111.3400	1.769	4	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.4003	4.062	159	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	119.9990	0.000	1	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	116.9325	6.096	14	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a]H)	115.2505	4.424	2	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	120.0080	0.045	2	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	119.6142	3.463	4	117.4286	16.730	243	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	112.6817	2.939	12	115.5722	17.105	58	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	116.4021	4.187	40	115.5722	17.105	58	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	113.7205	2.246	4	115.5722	17.105	58	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	120.0215	0.005	2	115.5722	17.105	58	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.9923	0.040	6	119.9923	0.002	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	120.0130	0.013	2	118.5077	8.130	45	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	118.4377	2.899	43	118.5077	8.130	45	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	120.0187	0.012	3	120.0187	0.000	3	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	119.5059	4.794	14	119.5719	19.953	16	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	120.0340	0.034	2	119.5719	19.953	16	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH){1|Br<1>,1|C<3>}	H(NC[6a]H)	120.0180	0.027	2	120.0180	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	112.6895	0.835	2	112.6895	0.697	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|C<4>}	H(NC[6a]H)	119.3405	0.349	4	119.1508	0.184	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	118.7715	0.351	2	119.1508	0.184	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|H<1>}	H(NC[6a]H)	114.4438	2.973	6	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|N<3>}	H(NC[6a]H)	114.1333	1.167	4	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]H)	114.5341	5.199	8	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	115.3731	3.626	18	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]H)	109.5255	0.093	2	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|O<2>}	H(NC[6a]H)	112.6580	0.375	2	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	118.7687	3.307	6	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	116.8612	3.638	42	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	117.8589	2.567	69	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|P<4>}	H(NC[6a]H)	119.9870	0.048	4	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]H)	119.1047	4.837	6	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	119.6821	1.814	15	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	H(NC[6a]H)	117.4568	3.331	15	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.4848	4.213	1247	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	118.4387	1.794	8	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	116.6863	3.765	12	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	117.8709	3.667	58	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	118.4173	3.328	9	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Pd<4>,1|C<3>,1|H<1>}	H(NC[6a]H)	119.9225	0.025	2	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){2|Cl<1>,1|C<3>}	H(NC[6a]H)	110.6180	2.076	2	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){3|C<3>}	H(NC[6a]H)	117.8472	3.557	9	117.4615	16.717	1544	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	120.0005	0.009	2	120.0005	0.000	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.8433	2.189	3	120.2678	1.495	16	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH){3|C<3>}	H(NC[6a]H)	120.3657	1.007	13	120.2678	1.495	16	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	114.3910	1.017	2	114.3910	1.034	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	116.7440	2.635	6	119.1563	4.659	23	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	119.9913	2.615	4	119.1563	4.659	23	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	120.0128	0.024	13	119.1563	4.659	23	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	119.9895	0.028	2	119.9895	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	117.5410	1.915	10	117.5410	3.668	10	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	H(NC[6a]H)	118.5370	2.497	7	118.5370	6.234	7	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	114.3220	3.657	6	114.3220	13.376	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	120.0165	0.149	2	120.0165	0.022	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	114.4465	3.726	2	118.1427	10.973	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.9908	0.012	4	118.1427	10.973	6	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	113.0980	2.138	2	113.0980	4.572	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	H(NC[6a]H)	112.9830	1.467	2	112.9830	2.151	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	113.6120	2.407	2	113.6120	5.794	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	116.9115	2.132	2	116.9115	4.545	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	117.8950	1.148	2	117.8950	1.319	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|N<2>}	H(NC[6a]H)	119.0970	0.631	3	119.0970	0.398	3	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	H(NC[6a]H)	119.9995	0.026	2	119.9995	0.001	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)2(NHH){1|C<3>}	H(NC[6a]H)	117.6440	0.000	1	117.6440	0.000	1	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]N)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	H(NC[6a]H)	116.4333	4.201	4	116.4333	17.648	4	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	120.0065	0.047	2	120.0065	0.002	2	117.7824	15.225	3018	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	H(NC[6a]H)	119.9950	0.000	1	119.9950	0.000	1	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|O<1>,2|S<2>}	H(NC[6a]H)	118.0695	4.361	2	118.0695	19.016	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	H(NC[6a]H)	119.8780	3.596	2	119.8780	12.934	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|O<1>}	H(NC[6a]H)	121.0505	1.882	2	121.0505	3.540	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|N<2>,1|O<1>,3|C<3>}	H(NC[6a]H)	120.3830	2.925	2	120.9845	4.666	4	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,1|S<2>,3|C<3>}	H(NC[6a]H)	121.5860	2.000	2	120.9845	4.666	4	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	120.2178	2.993	21	120.1912	7.793	24	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	H(NC[6a]H)	120.0047	0.017	3	120.1912	7.793	24	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	120.0065	0.032	2	120.0065	0.001	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	H(NC[6a]H)	119.9975	0.046	2	119.9975	0.002	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(NC[6a]H)	119.9155	0.047	2	119.9155	0.002	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	120.3890	3.141	2	120.3890	9.866	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6a]H)	121.2355	0.607	2	120.3434	2.780	8	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,1|O<1>}	H(NC[6a]H)	119.6395	2.156	4	120.3434	2.780	8	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	120.8590	1.024	2	120.3434	2.780	8	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	119.5035	4.008	20	119.5035	16.063	20	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	120.0058	0.027	4	120.0058	0.001	4	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]H)	120.8295	0.392	2	120.8295	0.154	2	120.0212	7.703	77	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	H(NC[6a]H)	120.0182	0.040	4	120.0182	0.002	4	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<2>}	H(NC[6a]H)	118.7615	3.050	4	119.5837	2.907	12	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|C<3>}	H(NC[6a]H)	119.9947	0.051	8	119.5837	2.907	12	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,2|N<2>}	H(NC[6a]H)	115.8787	4.888	4	118.0625	9.100	15	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|O<1>,2|N<2>}	H(NC[6a]H)	115.7905	0.596	2	118.0625	9.100	15	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<2>,2|C<3>}	H(NC[6a]H)	119.4117	0.989	7	118.0625	9.100	15	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Cl<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	119.9800	0.045	2	118.0625	9.100	15	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|C<4>,1|N<2>,2|C<3>}	H(NC[6a]H)	120.0215	0.039	4	120.0215	0.002	4	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	H(NC[6a]H)	119.5365	1.213	2	119.5365	1.471	2	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	H(NC[6a]H)	120.0087	0.046	4	120.0087	0.002	4	119.1514	4.754	41	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,1|O<1>,1|S<2>,2|C<3>}	H(NC[6a]H)	119.9807	0.021	7	119.9807	0.000	7	119.9807	0.000	7	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	119.3650	3.836	4	119.3650	14.716	4	119.5760	8.936	6	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)2(NHH){1|C<3>,2|O<1>}	H(NC[6a]H)	119.9980	0.014	2	119.9980	0.000	2	119.5760	8.936	6	117.8798	15.028	3358	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	2:2:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|C<4>}	H(NC[6a]N)	116.5020	0.000	1	117.3427	1.289	4	117.8598	2.304	5	117.8598	2.304	5	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	2:2:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.1920	0.991	2	117.3427	1.289	4	117.8598	2.304	5	117.8598	2.304	5	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	2:2:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|N<2>,2|N<3>}	H(NC[6a]N)	116.4850	0.000	1	117.3427	1.289	4	117.8598	2.304	5	117.8598	2.304	5	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	2:2:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]N[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	H(NC[6a]N)	119.9280	0.000	1	119.9280	0.000	1	117.8598	2.304	5	117.8598	2.304	5	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	H(NC[6a]N)	119.9973	1.172	7	119.9973	1.374	7	119.9973	1.374	7	119.9973	1.374	7	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(NC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	H(NC[6a]N)	N(C[6a]C[5a,6a]N[6a])(NC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	H(NC[6a]N)	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]N)	120.2825	1.556	2	120.2825	2.422	2	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]N)	121.0860	0.000	1	120.0443	8.385	21	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.0592	3.122	18	120.0443	8.385	21	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]N)	119.3895	0.216	2	120.0443	8.385	21	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	H(NC[6a]N)	121.3256	0.235	5	121.3256	0.055	5	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	H(NC[6a]N)	120.0085	0.431	2	120.0085	0.185	2	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	H(NC[6a]N)	120.1900	0.321	2	120.1900	0.103	2	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.9340	0.653	7	119.9340	0.426	7	120.2066	4.753	39	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	H(NC[6a]O)	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	H(NC[6a]O)	114.7365	1.515	2	114.7365	2.296	2	114.7365	2.296	2	119.9158	5.874	42	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	H(NC[6a]N)	120.3670	0.000	1	120.3670	0.000	1	120.9451	4.018	20	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]N)	120.3860	0.000	1	120.7537	1.264	10	120.9451	4.018	20	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]N)	120.7787	1.346	7	120.7537	1.264	10	120.9451	4.018	20	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	H(NC[6a]N)	120.8500	0.594	2	120.7537	1.264	10	120.9451	4.018	20	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	H(NC[6a]N)	119.9564	1.474	7	119.9564	2.171	7	120.9451	4.018	20	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	H(NC[6a]N)	125.6515	0.313	2	125.6515	0.098	2	120.9451	4.018	20	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.1902	2.609	16	119.1902	6.807	16	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.2416	0.931	5	120.2416	0.866	5	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN){1|Cl<1>,1|C<3>,1|C<4>}	H(NC[6a]N)	116.4970	0.000	1	116.4970	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	122.4707	2.326	6	121.9009	4.979	8	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.1915	0.152	2	121.9009	4.979	8	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.4750	0.000	1	120.4750	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.4330	2.209	3	117.4330	4.878	3	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	121.4140	2.396	5	121.4140	5.740	5	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	H(NC[6a]N)	119.4770	0.000	2	119.4770	0.000	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.2250	0.000	1	119.2865	5.315	164	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.2808	2.311	163	119.2865	5.315	164	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]N)	118.2890	0.000	1	121.2619	9.612	10	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	121.5922	3.096	9	121.2619	9.612	10	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	124.8097	9.091	3	124.8097	82.643	3	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.7235	1.679	2	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]N)	119.8878	1.852	9	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]N)	123.1810	0.000	1	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.5714	2.324	186	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.1750	0.529	2	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	H(NC[6a]N)	116.7870	2.066	2	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|N<2>,2|C<3>}	H(NC[6a]N)	120.4120	0.000	2	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){2|Cl<1>,1|C<3>}	H(NC[6a]N)	116.8030	0.000	1	119.5876	5.272	205	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.9787	0.738	6	118.9787	0.544	6	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]N)	121.4710	0.107	2	121.4710	0.012	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.2340	0.465	2	119.2340	0.216	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.6360	0.000	1	120.6360	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.0020	0.000	1	119.0020	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	H(NC[6a]N)	118.2400	0.000	1	118.2400	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.3481	2.059	14	118.3481	4.241	14	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.6910	1.271	2	117.6910	1.616	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.3226	2.213	27	119.3911	4.613	29	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.3160	0.127	2	119.3911	4.613	29	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.9370	1.121	3	120.9370	1.256	3	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]N)	123.9742	2.910	4	123.4284	10.218	9	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	122.9918	3.681	5	123.4284	10.218	9	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.6180	1.322	3	119.6180	1.747	3	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.6065	2.968	2	120.6065	8.807	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.6014	2.060	30	119.6014	4.242	30	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]N)	120.4685	0.159	2	120.4675	0.772	4	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.4665	1.514	2	120.4675	0.772	4	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.6645	6.185	2	118.6645	38.255	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]N)	122.9680	0.000	1	122.0408	6.565	45	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]N)	124.9475	1.198	4	122.0408	6.565	45	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	121.9460	2.659	34	122.0408	6.565	45	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N)	120.3845	1.012	2	122.0408	6.565	45	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	H(NC[6a]N)	120.7460	0.303	3	122.0408	6.565	45	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){3|C<3>}	H(NC[6a]N)	119.9080	0.000	1	122.0408	6.565	45	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.2070	0.000	1	117.2070	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.5354	1.768	8	117.5354	3.127	8	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.8590	0.000	1	119.8590	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	121.5195	0.173	2	121.5195	0.030	2	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.4080	0.000	1	118.4080	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	H(NC[6a]N)	120.5820	0.000	1	120.5820	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.8470	0.000	1	119.8470	0.000	1	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	122.0337	2.110	7	122.0337	4.450	7	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]N)	121.4810	0.000	1	119.9432	2.074	13	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.8151	1.425	12	119.9432	2.074	13	119.8005	6.386	614	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	H(NC[6a]O)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	H(NC[6a]O)	117.7340	0.000	1	117.7340	0.000	1	119.1797	1.672	3	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	H(NC[6a]O)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,1|O<1>,1|O<2>}	H(NC[6a]O)	119.9025	0.457	2	119.9025	0.209	2	119.1797	1.672	3	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.9840	0.000	1	118.9840	0.000	1	118.7818	38.215	4	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	122.1705	6.551	2	122.1705	42.920	2	118.7818	38.215	4	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS){1|C<3>,2|F<1>}	H(NC[6a]S)	111.8020	0.000	1	111.8020	0.000	1	118.7818	38.215	4	119.8190	6.500	642	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]C[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|N<2>,2|F<1>}	H(NC[5a]C[6a])	116.0670	0.000	1	116.0670	0.000	1	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	H(NC[5a]C[6a])	116.8440	1.277	2	116.8440	1.631	2	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	H(NC[5a]C[6a])	117.4483	0.675	4	117.4483	0.455	4	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	H(NC[5a]C[6a])	116.5290	0.000	1	116.5290	0.000	1	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	H(NC[5a]C[6a])	116.4685	0.873	2	116.4685	0.763	2	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	H(NC[5a]C[6a])	116.3400	0.000	1	116.3400	0.000	1	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	H(NC[5a]C[6a])	118.1680	0.000	1	117.3340	1.391	2	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.5000	0.000	1	117.3340	1.391	2	116.9248	0.687	13	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.2295	0.047	2	117.2295	0.002	2	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	114.1593	1.110	3	114.1593	1.233	3	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.7090	0.000	1	113.7090	0.000	1	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.6313	1.655	3	115.2545	3.379	4	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	117.1240	0.000	1	115.2545	3.379	4	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNN)(H)	C[6a](N[6a]N[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNN)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	H(NC[6a]C)	116.3420	0.000	1	116.3420	0.000	1	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>}	H(NC[6a]C)	113.9860	0.000	1	113.9860	0.000	1	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	H(NC[6a]C)	116.1590	0.000	1	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.2070	0.345	2	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]C)	117.7630	0.000	1	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	114.9161	1.536	17	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	H(NC[6a]C)	115.4830	0.678	4	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	H(NC[6a]C)	114.2310	0.553	2	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	114.8770	0.000	1	115.0421	1.925	28	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	112.7278	3.775	4	113.8942	6.911	9	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.7595	0.939	4	113.8942	6.911	9	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	H(NC[6a]C)	115.0990	0.000	1	113.8942	6.911	9	114.8616	3.058	49	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:S[6a]-2:N-3:	N-3:	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|S<2>}	H(NC[6a]C)	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	H(NC[6a]2)	114.5115	0.530	2	115.0853	1.128	3	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|O<2>,2|C<3>}	H(NC[6a]2)	116.2330	0.000	1	115.0853	1.128	3	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	H(NC[6a]2)	114.9240	0.000	1	114.9240	0.000	1	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	H(NC[6a]2)	111.3860	0.000	1	111.3860	0.000	1	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]2)	115.2186	1.361	5	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	110.3446	3.127	5	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.0108	1.655	10	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6a]2)	113.3820	0.000	1	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]2)	116.3378	1.704	6	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	H(NC[6a]2)	114.6415	1.197	4	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]2)	116.8230	0.000	1	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	115.1070	1.238	8	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	H(NC[6a]2)	115.7259	1.773	10	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){2|Cl<1>,1|N<2>}	H(NC[6a]2)	112.7903	2.296	3	114.7398	5.419	53	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	115.5350	0.919	2	115.5350	0.845	2	114.7307	5.047	60	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NCH)(H)	C[6a](N[6a]N[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NCH)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	H(NC[6a]N)	119.1470	0.000	1	119.1470	0.000	1	119.7528	1.784	15	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC[5]H)(H)	C[6a](N[6a]N[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC[5]H)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	H(NC[6a]N)	119.8620	0.000	1	119.8620	0.000	1	119.7528	1.784	15	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]N)	120.9780	0.000	1	120.3025	0.516	11	119.7528	1.784	15	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|O<2>}	H(NC[6a]N)	120.2349	0.719	10	120.3025	0.516	11	119.7528	1.784	15	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN){2|C<3>}	H(NC[6a]N)	117.5800	0.000	1	117.5800	0.000	1	119.7528	1.784	15	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	H(NC[6a]N)	116.3760	0.000	1	116.3760	0.000	1	119.7528	1.784	15	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	N[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	H(NC[6a]N[5a])	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	H(NC[6a]N[5a])	128.6450	0.000	1	128.6450	0.000	1	128.6450	0.000	1	115.6183	7.227	140	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	113.9794	1.220	9	113.9794	1.488	9	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	114.5534	3.050	10	114.5534	9.300	10	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	115.6580	3.633	2	115.6580	13.200	2	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	114.5250	0.881	2	114.8697	0.745	3	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.5590	0.000	1	114.8697	0.745	3	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.3380	0.000	1	116.3380	0.000	1	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	112.9480	0.262	2	114.6183	2.184	6	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.8185	1.363	2	114.6183	2.184	6	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	H(NC[6a]C)	115.0885	0.305	2	114.6183	2.184	6	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.7760	0.000	1	115.7760	0.000	1	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	115.1360	0.000	1	114.6785	0.110	6	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.5870	0.274	5	114.6785	0.110	6	114.6097	3.572	38	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6a]C)	116.2665	0.309	2	115.7013	12.931	6	114.9412	11.971	9	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C)	115.4187	4.604	4	115.7013	12.931	6	114.9412	11.971	9	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C)	116.3320	0.000	1	116.3320	0.000	1	114.9412	11.971	9	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6a]C)	111.9655	2.829	2	111.9655	8.004	2	114.9412	11.971	9	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	H(NC[6a]2)	118.3220	0.000	1	118.3220	0.000	1	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	114.3180	0.000	1	114.6748	1.515	5	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,2|C<3>}	H(NC[6a]2)	116.6570	0.000	1	114.6748	1.515	5	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	113.7975	0.670	2	114.6748	1.515	5	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){3|C<3>}	H(NC[6a]2)	114.8040	0.000	1	114.6748	1.515	5	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	H(NC[6a]2)	114.8922	0.735	5	114.8922	0.540	5	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	H(NC[6a]2)	115.6550	0.767	2	115.6550	0.588	2	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	114.6738	5.016	6	114.7060	20.976	7	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]2)	114.8990	0.000	1	114.7060	20.976	7	115.0205	7.776	20	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]2)	116.8870	0.000	2	116.8870	0.000	2	115.7633	2.419	11	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]2)	115.4460	0.348	2	115.4460	0.121	2	115.7633	2.419	11	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	H(NC[6a]2)	114.4265	0.047	2	114.4265	0.002	2	115.7633	2.419	11	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]2)	116.1120	2.392	4	116.1120	5.723	4	115.7633	2.419	11	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]2)	115.4290	0.000	1	115.4290	0.000	1	115.7633	2.419	11	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	H(NC[6a]N)	123.5650	0.000	1	123.5650	0.000	1	118.7027	22.211	3	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	H(NC[6a]N)	114.1550	0.000	1	114.1550	0.000	1	118.7027	22.211	3	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	H(NC[6a]N)	118.3880	0.000	1	118.3880	0.000	1	118.7027	22.211	3	115.0562	6.217	81	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	116.6825	0.588	2	116.4000	1.665	6	116.0910	2.056	7	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]C)	116.2588	1.606	4	116.4000	1.665	6	116.0910	2.056	7	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	H(NC[6a]C)	114.2370	0.000	1	114.2370	0.000	1	116.0910	2.056	7	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	119.6300	0.028	2	119.6300	0.001	2	118.9313	1.465	3	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	117.5340	0.000	1	117.5340	0.000	1	118.9313	1.465	3	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.7280	0.000	1	116.2333	0.192	3	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4860	0.000	2	116.2333	0.192	3	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.3450	0.000	1	117.3450	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.1564	0.390	5	118.1564	0.152	5	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	115.0260	0.107	2	115.0260	0.012	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.0110	0.000	1	116.0110	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.7440	0.317	2	113.7687	0.052	3	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	113.8180	0.000	1	113.7687	0.052	3	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	H(NC[6a]C)	118.5060	0.000	1	118.5060	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.2895	1.139	2	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.9199	1.662	21	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.5830	1.534	34	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|P<4>}	H(NC[6a]C)	116.0350	0.000	1	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]C)	115.8780	0.092	2	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	115.1110	0.000	1	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5944	1.560	49	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	H(NC[6a]C)	116.1790	0.000	1	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C)	116.0305	0.149	2	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.1883	1.094	12	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,1|O<2>,1|S<2>}	H(NC[6a]C)	114.5630	0.000	1	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	H(NC[6a]C)	116.2310	0.000	1	115.5751	2.273	127	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5783	3.433	6	116.5783	11.788	6	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	115.3050	0.000	1	115.3050	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.0750	0.017	2	114.0750	0.000	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	114.5110	0.000	1	114.5110	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2290	0.590	2	116.2290	0.348	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.7115	2.535	2	114.7115	6.426	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.0130	0.000	1	116.0130	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.5970	0.000	1	116.5970	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.5800	3.837	2	114.5800	14.721	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.4760	0.000	1	116.4575	34.908	13	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.6030	0.000	1	116.4575	34.908	13	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4426	6.472	11	116.4575	34.908	13	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.8145	0.019	2	116.8145	0.000	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.1470	0.000	1	117.0167	0.695	3	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4515	0.506	2	117.0167	0.695	3	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	121.8780	1.935	2	121.8780	3.743	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5149	1.467	19	115.5149	2.151	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8665	7.546	2	117.8665	56.935	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.7716	1.944	7	113.7722	3.238	8	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C)	113.7770	0.000	1	113.7722	3.238	8	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.1340	2.243	12	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<1>}	H(NC[6a]C)	116.1685	0.142	2	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.2307	0.839	41	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.9870	1.720	53	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C)	115.4213	0.911	3	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.1181	1.919	25	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|O<2>,2|C<3>}	H(NC[6a]C)	113.6220	0.000	1	115.5953	2.776	137	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.4240	0.000	1	116.4240	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	115.4500	0.000	1	115.4500	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.0360	0.000	1	116.6852	0.137	4	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5683	0.350	3	116.6852	0.137	4	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHO)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHO)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9530	0.000	1	117.9530	0.000	1	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9576	0.587	11	115.9576	0.344	11	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	109.4230	0.000	1	115.2129	6.699	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.3745	0.243	2	115.2129	6.699	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.0965	0.544	2	115.2129	6.699	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4256	2.632	12	115.2129	6.699	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	118.3560	0.000	1	115.2129	6.699	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C)	115.2180	0.000	1	115.2129	6.699	19	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6250	2.738	2	116.6250	7.496	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	113.9090	0.340	11	114.3192	0.411	38	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	114.4160	0.255	6	114.3192	0.411	38	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.0380	0.000	1	114.3192	0.411	38	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.4797	0.754	20	114.3192	0.411	38	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5190	0.404	2	118.5190	0.164	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.3260	0.151	2	116.3260	0.023	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.4340	5.448	2	116.5736	7.146	15	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.8645	0.688	2	116.5736	7.146	15	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5410	1.281	3	116.5736	7.146	15	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.5480	3.080	8	116.5736	7.146	15	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(COS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5110	0.426	2	118.5110	0.181	2	115.6299	4.216	445	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH)	H(NC[6a]C)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH){2|C<3>,2|N<2>}	H(NC[6a]C)	119.4600	0.024	2	119.4600	0.001	2	119.4600	0.001	2	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C)	116.8195	0.066	2	116.8195	0.004	2	116.2799	2.103	13	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	H(NC[6a]C)	116.1818	1.567	11	116.1818	2.454	11	116.2799	2.103	13	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	114.2110	0.000	1	114.7334	10.965	28	114.7334	10.965	28	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	116.7040	0.000	1	114.7334	10.965	28	114.7334	10.965	28	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	114.6777	3.417	26	114.7334	10.965	28	114.7334	10.965	28	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(NC[6a]2)	117.7260	0.000	1	117.7260	0.000	1	115.5911	2.297	8	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	H(NC[6a]2)	116.3220	0.000	1	116.3220	0.000	1	115.5911	2.297	8	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	H(NC[6a]2)	115.7590	0.000	1	115.7590	0.000	1	115.5911	2.297	8	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]2)	114.6190	2.913	2	115.0078	3.035	4	115.5911	2.297	8	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]2)	115.3965	0.118	2	115.0078	3.035	4	115.5911	2.297	8	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]2)	114.8910	0.000	1	114.8910	0.000	1	115.5911	2.297	8	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	116.3290	0.000	1	116.3290	0.000	1	118.2425	7.323	2	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(NC[6a]2)	120.1560	0.000	1	120.1560	0.000	1	118.2425	7.323	2	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]2)	116.1685	0.795	2	116.1685	0.633	2	117.0753	9.861	31	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,4|C<3>}	H(NC[6a]2)	114.3640	0.000	1	114.3640	0.000	1	117.0753	9.861	31	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]2)	118.2010	0.000	1	117.2369	10.573	28	117.0753	9.861	31	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]2)	117.1670	0.000	1	117.2369	10.573	28	117.0753	9.861	31	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	117.2025	3.373	26	117.2369	10.573	28	117.0753	9.861	31	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.1730	0.000	1	115.1730	0.000	1	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	H(NC[6a]2)	116.1790	0.000	1	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	H(NC[6a]2)	115.0562	1.378	5	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	116.7730	1.185	8	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.1798	2.625	57	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	H(NC[6a]2)	115.1000	0.095	2	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	H(NC[6a]2)	114.6060	0.000	1	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]2)	113.3490	0.000	1	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>}	H(NC[6a]2)	115.1580	0.000	1	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]2)	113.3390	3.042	2	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|O<2>,2|N<2>}	H(NC[6a]2)	111.8835	3.559	2	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){2|Cl<1>,1|N<2>}	H(NC[6a]2)	109.0330	0.000	1	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){3|C<3>}	H(NC[6a]2)	115.8700	0.000	1	115.1165	6.379	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.0010	0.000	1	117.0010	0.000	1	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<4>,1|N<2>}	H(NC[6a]2)	117.6200	0.000	1	117.6200	0.000	1	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	115.7420	1.071	4	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	116.1328	2.361	24	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.9354	2.721	45	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a]2)	115.6740	0.000	1	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	114.4443	0.398	3	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<4>}	H(NC[6a]2)	115.2248	0.241	4	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){3|C<3>}	H(NC[6a]2)	114.2570	0.000	1	115.8708	5.805	82	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	H(NC[6a]2)	115.6758	1.890	5	115.6758	3.573	5	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	114.2320	2.110	2	114.4150	7.242	24	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.2184	2.510	10	114.4150	7.242	24	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	H(NC[6a]2)	115.2420	0.000	1	114.4150	7.242	24	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	H(NC[6a]2)	112.8023	1.187	3	114.4150	7.242	24	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]2)	115.9035	2.360	2	114.4150	7.242	24	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]2)	114.9758	4.044	6	114.4150	7.242	24	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	H(NC[6a]2)	113.6125	0.562	4	113.6125	0.315	4	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	114.1640	0.000	1	115.3297	3.548	63	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	115.7315	1.117	2	115.3297	3.548	63	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	116.4543	1.784	30	115.3297	3.548	63	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	113.7370	1.167	2	115.3297	3.548	63	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.2910	1.390	24	115.3297	3.548	63	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	114.0145	1.033	4	115.3297	3.548	63	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	H(NC[6a]2)	115.1270	0.801	4	115.1864	0.498	5	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	H(NC[6a]2)	115.4240	0.000	1	115.1864	0.498	5	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	H(NC[6a]2)	115.4630	0.000	1	115.4630	0.000	1	115.3409	5.444	269	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	H(NC[6a]2)	120.5470	0.000	1	120.5470	0.000	1	116.8463	10.338	3	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(NC[6a]2)	114.9960	0.365	2	114.9960	0.133	2	116.8463	10.338	3	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	H(NC[6a]N)	118.3100	1.638	2	118.3100	2.682	2	118.3140	1.341	3	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	H(NC[6a]N)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	H(NC[6a]N)	118.3220	0.000	1	118.3220	0.000	1	118.3140	1.341	3	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN){1|H<1>,4|C<3>}	H(NC[6a]N)	120.7505	1.927	2	120.7505	3.713	2	120.7505	3.713	2	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	116.7985	4.056	4	116.7985	16.452	4	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	114.4790	0.000	1	114.4790	0.000	1	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.8860	0.000	1	119.8860	0.000	1	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]N)	121.2465	4.232	2	121.2465	17.910	2	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN){2|C<3>,2|H<1>,2|O<2>}	H(NC[6a]N)	120.1120	0.000	1	120.1120	0.000	1	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	121.3570	0.000	1	121.3570	0.000	1	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]N)	118.3710	0.000	1	118.3710	0.000	1	118.5356	12.279	11	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]P)	113.3260	1.052	2	113.3260	1.107	2	113.3260	1.107	2	115.6568	5.454	831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	B[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[5]H)	H(NC[6a]B[5])	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[5]H){1|C<3>,2|H<1>}	H(NC[6a]B[5])	113.4160	1.894	4	113.4160	3.587	4	113.4160	3.587	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	117.0880	1.659	2	117.0880	2.752	2	115.1977	12.096	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	111.4170	0.000	1	111.4170	0.000	1	115.1977	12.096	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.0927	0.538	3	118.0927	0.290	3	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.0050	0.000	1	115.0050	0.000	1	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2240	0.000	1	116.2240	0.000	1	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.4400	0.000	1	116.8413	1.113	8	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	117.4775	0.644	2	116.8413	1.113	8	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6670	1.250	5	116.8413	1.113	8	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.1613	1.870	3	115.1613	3.495	3	116.6076	2.094	16	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H)	H(NC[4a]C[6a])	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H){1|C<3>,2|H<1>}	H(NC[4a]C[6a])	116.0755	0.745	2	116.0755	0.554	2	116.0328	2.593	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H)	H(NC[4a]C[6a])	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|C<4>}	H(NC[4a]C[6a])	115.9872	0.812	6	116.0294	2.786	25	116.0328	2.593	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H)	H(NC[4a]C[6a])	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	H(NC[4a]C[6a])	116.0427	1.879	19	116.0294	2.786	25	116.0328	2.593	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,5,6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,5,6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	113.2230	0.000	1	113.2230	0.000	1	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.4530	0.000	1	116.4530	0.000	1	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.1485	1.686	2	117.1485	2.844	2	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[5])	113.3785	1.665	2	113.3785	2.773	2	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[5])	115.4220	0.000	1	115.4453	0.911	3	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.4110	0.000	1	115.4453	0.911	3	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|N<2>,2|H<1>}	H(NC[6a]C[5])	114.5030	0.000	1	115.4453	0.911	3	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	118.7010	0.000	1	118.7010	0.000	1	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.4285	1.745	6	116.4285	3.046	6	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	122.6380	0.000	1	122.6380	0.000	1	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.1695	2.242	2	115.1695	5.028	2	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.3540	1.766	3	117.3540	3.119	3	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	113.7217	0.934	3	113.7217	0.872	3	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.9058	1.838	21	115.9415	3.097	23	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	H(NC[6a]C[5])	116.3165	0.476	2	115.9415	3.097	23	115.9832	4.341	48	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.5260	0.000	1	116.5260	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	121.0175	1.531	2	121.0175	2.344	2	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.0364	3.433	10	118.0364	11.786	10	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.5170	0.000	1	116.5170	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[5a]C[6a])	115.1820	1.395	4	115.1820	1.946	4	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[5a]C[6a])	115.3530	0.581	2	115.5745	0.231	4	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[5a]C[6a])	115.7960	0.400	2	115.5745	0.231	4	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.7685	1.701	2	118.7685	2.892	2	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.1570	0.000	1	118.1570	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	114.2060	0.000	1	114.2060	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.3735	2.107	6	116.0514	3.529	8	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[5a]C[6a])	115.0850	0.081	2	116.0514	3.529	8	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[5a]C[6a])	113.9850	0.000	1	115.7101	2.725	11	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	115.8826	1.632	10	115.7101	2.725	11	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	119.5310	0.396	2	119.5310	0.157	2	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.0678	2.135	5	116.0678	4.557	5	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	117.2606	2.460	5	117.2606	6.054	5	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	113.7603	2.799	34	113.7603	7.834	34	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|C<4>}	H(NC[5a]C[6a])	114.3820	0.000	1	115.5520	2.440	10	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	115.6820	1.598	9	115.5520	2.440	10	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	114.3280	0.000	1	114.3280	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	115.6250	0.000	1	115.6250	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	115.3950	0.000	1	115.3950	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.4960	0.000	1	116.4960	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	111.1300	0.000	1	111.1300	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	117.1430	0.000	1	117.1430	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.0704	1.000	10	116.0704	1.000	10	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	117.7450	0.440	2	117.7450	0.193	2	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|F<1>,1|H<1>}	H(NC[5a]C[6a])	115.3500	0.000	1	115.3500	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	117.1773	1.509	3	117.1773	2.278	3	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.0085	1.306	4	117.6492	1.925	5	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[5a]C[6a])	116.2120	0.000	1	117.6492	1.925	5	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.7920	0.649	3	118.7920	0.421	3	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	117.2290	0.000	1	117.2290	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	116.6185	0.255	2	116.6185	0.065	2	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.0670	0.000	1	118.0670	0.000	1	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[5a]C[6a])	115.6320	0.000	1	115.5972	1.339	41	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	115.6186	1.187	29	115.5972	1.339	41	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[5a]C[6a])	115.5375	1.185	11	115.5972	1.339	41	115.8210	5.589	176	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.9480	0.000	2	117.9480	0.000	2	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	117.6530	0.441	2	116.6766	0.614	8	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	116.2455	0.690	4	116.6766	0.614	8	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.5625	0.012	2	116.6766	0.614	8	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	112.3650	0.000	1	112.3650	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.4670	0.000	1	115.4670	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.4770	0.000	1	118.4770	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.0350	0.000	1	116.0350	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	116.2535	1.216	2	116.2535	1.477	2	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.4250	0.875	2	115.4250	0.766	2	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	115.0138	2.480	6	114.1312	6.816	10	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C[6])	111.6665	1.777	2	114.1312	6.816	10	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	113.9480	3.246	2	114.1312	6.816	10	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.1245	0.670	2	118.1245	0.448	2	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.6720	0.000	1	117.6720	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	118.0870	3.842	4	116.5467	6.623	41	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C[6])	114.0100	0.000	1	116.5467	6.623	41	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	116.7195	0.276	2	116.5467	6.623	41	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.4299	2.487	34	116.5467	6.623	41	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.9600	0.000	1	116.9600	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	115.1192	0.935	4	115.1192	0.874	4	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	113.1320	0.000	1	113.1320	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.4615	0.411	2	117.4615	0.169	2	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.1577	2.533	3	117.1577	6.414	3	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.3830	0.000	1	116.3830	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.4170	0.000	1	118.4170	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|C<4>}	H(NC[6a]C[6])	116.3020	0.000	1	116.3020	0.000	1	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.9513	0.306	3	117.9513	0.094	3	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.1965	1.268	4	115.1965	1.607	4	116.2512	5.210	93	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:As-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(AsCl2)(H)	C[6a](C[6a]C[6a]2)2(NAsH)	H(NC[6a]As)	N(C[6a]C[6a]2)(AsCl2)(H)	C[6a](C[6a]C[6a]2)2(NAsH){2|H<1>,5|C<3>}	H(NC[6a]As)	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	111.0540	1.800	4	111.0540	3.238	4	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]H)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	111.5444	1.965	8	111.5444	3.860	8	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BC[5]N)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BC[5]N)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	115.9740	1.117	2	115.9740	1.248	2	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	113.6265	0.541	2	113.6265	0.293	2	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	113.9490	0.000	1	113.9490	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BC[6a]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BC[6a]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	115.9550	0.000	1	115.9550	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	114.2110	0.437	2	114.2110	0.191	2	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	114.8820	0.000	1	114.8820	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BHN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BHN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	115.0860	0.404	2	115.0860	0.164	2	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	116.0752	1.221	9	116.0752	1.491	9	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]H)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	112.5803	1.913	3	112.5803	3.661	3	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BN[6]Br)(H)	C[6a](C[6a]C[6a]2)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BN[6]Br)(H)	C[6a](C[6a]C[6a]2)2(NBH){2|H<1>,5|C<3>}	H(NC[6a]B)	113.6840	0.000	1	113.6840	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BN[6]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BN[6]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	115.1240	0.000	1	115.1240	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	116.5880	0.000	1	116.5880	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BOsN)(H)	C[6a](C[6a]C[6a]H)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BOsN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	115.6695	0.934	8	115.6695	0.873	8	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BOsN)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BOsN)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	120.3858	0.270	8	120.3858	0.073	8	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BPtN)(H)	C[6a](C[6a]C[6a]H)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BPtN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	114.0640	0.000	1	114.0640	0.000	1	115.0813	9.253	55	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	H(NC[6a]C)	117.0770	0.000	1	117.0770	0.000	1	116.8022	1.798	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]C)	115.4430	0.263	4	115.4430	0.069	4	116.8022	1.798	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	118.1350	0.577	2	118.1350	0.333	2	116.8022	1.798	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|O<2>,2|H<1>,3|C<3>}	H(NC[6a]C)	119.0270	0.000	1	119.0270	0.000	1	116.8022	1.798	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,3|C<4>}	H(NC[6a]C)	115.9160	0.000	1	116.8927	0.724	3	116.8022	1.798	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){3|C<3>,3|H<1>}	H(NC[6a]C)	117.3810	0.134	2	116.8927	0.724	3	116.8022	1.798	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]C)	114.1843	0.024	3	114.1843	0.001	3	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	H(NC[6a]C)	126.0490	0.000	2	126.0490	0.000	2	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.2845	0.050	2	116.2845	0.003	2	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH){1|H<1>,5|C<3>}	H(NC[6a]C)	116.6410	0.000	1	116.6410	0.000	1	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	H(NC[6a]C)	113.1195	1.084	2	113.1195	1.175	2	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]C)	116.1130	0.000	1	116.1130	0.000	1	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.6670	1.203	3	116.6670	1.447	3	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	116.4590	0.000	1	116.4590	0.000	1	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.5989	1.495	9	117.5989	2.236	9	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.8865	0.818	2	116.9320	2.322	21	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]C)	117.7415	1.022	4	116.9320	2.322	21	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.7223	1.677	15	116.9320	2.322	21	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.1340	1.069	2	116.1340	1.143	2	116.9980	6.404	47	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	115.9790	3.124	2	115.9790	9.759	2	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH){2|C<4>,3|C<3>,3|H<1>}	H(NC[6a]C)	116.9900	0.000	1	116.9900	0.000	1	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(NC[6a]C)	112.8390	0.082	2	114.2052	2.087	5	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	113.9330	0.000	1	114.2052	2.087	5	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C)	115.7075	0.142	2	114.2052	2.087	5	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	114.2400	0.000	1	114.2400	0.000	1	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	H(NC[6a]C)	115.6620	0.000	1	115.6620	0.000	1	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6a]C)	122.8600	2.288	2	122.8600	5.236	2	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	115.8985	0.200	2	115.8985	0.040	2	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	116.7310	0.000	1	117.7133	8.622	4	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	118.0407	3.506	3	117.7133	8.622	4	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	115.6220	0.000	1	115.6220	0.000	1	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.7490	0.000	1	117.7490	0.000	1	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.3540	0.000	1	117.3540	0.000	1	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	H(NC[6a]C)	116.5195	4.383	4	117.1295	12.471	6	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	H(NC[6a]C)	118.3495	0.518	2	117.1295	12.471	6	116.7314	9.078	27	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){2|H<1>,5|C<3>}	H(NC[6a]C)	118.0590	1.126	11	118.0590	1.269	11	118.0590	1.269	11	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.7600	0.580	2	119.7600	0.336	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|C<4>,3|C<3>}	H(NC[6a]C)	113.9870	0.000	1	113.9300	1.738	3	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	113.9015	1.863	2	113.9300	1.738	3	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.1085	0.951	2	118.1085	0.905	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	116.7320	0.000	1	116.7050	0.113	3	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	116.6915	0.474	2	116.7050	0.113	3	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.2350	0.000	1	116.2350	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	111.0280	0.000	1	111.0280	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.3492	0.754	16	117.3492	0.568	16	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	117.8470	1.267	2	117.8470	1.606	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	H(NC[6a]C)	117.4660	0.000	1	117.4660	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	116.8050	2.160	2	116.8528	4.070	12	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	113.5420	0.000	1	116.8528	4.070	12	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	117.2385	2.957	4	116.8528	4.070	12	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.2256	0.635	5	116.8528	4.070	12	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH){1|H<1>,1|N<2>,4|C<3>}	H(NC[6a]C)	118.6480	0.000	1	118.6480	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	115.0372	1.433	73	115.0372	2.054	73	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.1590	0.000	1	116.1590	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	114.4387	1.905	4	114.4387	3.629	4	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	115.4920	0.000	1	115.4920	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	114.3690	0.000	1	114.3690	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	115.0576	2.045	10	115.0576	4.180	10	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.8970	0.000	1	119.8970	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	115.2075	1.485	13	115.2075	2.204	13	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.7300	0.000	1	114.7300	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	115.0997	0.869	3	115.0997	0.754	3	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	116.0570	0.000	1	116.0570	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.9130	0.240	2	119.9130	0.058	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	117.7000	1.147	10	117.7000	1.315	10	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.1222	3.011	5	115.1222	9.068	5	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	113.1926	3.886	5	113.1926	15.104	5	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.7010	0.000	1	115.7010	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	115.2450	0.000	1	115.2450	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.7998	0.402	4	115.7998	0.162	4	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.3160	0.000	1	116.3160	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	119.7760	0.000	1	119.7760	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	114.7320	0.000	1	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|F<1>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.4820	0.000	1	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	116.4930	0.229	3	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	115.7750	0.000	1	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	H(NC[6a]C)	115.5090	0.122	4	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|S<2>,3|C<3>}	H(NC[6a]C)	118.4680	0.000	1	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	116.7270	1.325	4	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.4220	1.531	7	116.3106	1.447	22	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH){2|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C)	114.5125	1.090	2	114.5125	1.187	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	117.8710	0.000	1	117.8710	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	119.0680	0.000	1	119.0680	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	114.7767	1.999	65	114.7767	3.996	65	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	117.1980	0.000	1	117.1980	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	115.3410	0.000	1	115.3410	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	120.9620	0.000	1	120.9620	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	116.6710	0.000	1	116.6710	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	117.2920	0.000	1	117.2920	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){5|C<3>}	H(NC[6a]C)	118.8020	0.000	1	118.8020	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	118.5340	0.000	1	118.0605	2.095	37	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.0474	1.466	36	118.0605	2.095	37	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	114.2155	3.463	8	114.2155	11.994	8	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	116.9270	1.297	2	116.9270	1.682	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	123.8030	0.000	1	118.2353	14.046	19	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.9259	3.598	18	118.2353	14.046	19	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	114.0990	0.044	2	114.0990	0.002	2	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	116.9970	0.000	1	116.9970	0.000	1	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.5640	3.099	3	116.5640	9.601	3	115.9933	5.470	352	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	121.3870	0.000	1	121.3870	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	120.9885	2.822	2	114.9980	35.818	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.6018	5.159	5	114.9980	35.818	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0159	2.389	39	119.0159	5.708	39	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4120	0.000	1	115.4120	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.6840	0.000	1	120.6840	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	117.3740	0.535	3	117.3740	0.286	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.1550	0.000	1	116.4220	6.960	26	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	112.6940	0.000	1	116.4220	6.960	26	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8411	2.583	20	116.4220	6.960	26	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.7043	2.941	3	116.4220	6.960	26	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	113.1860	0.000	1	116.4220	6.960	26	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.1910	0.000	1	116.0854	13.734	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]C)	113.2650	0.000	1	116.0854	13.734	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	118.0650	6.506	3	116.0854	13.734	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.5360	1.193	4	116.0854	13.734	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.0590	0.000	1	116.0854	13.734	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.2670	0.000	1	115.2670	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.6800	0.000	1	116.4468	3.065	37	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.2100	0.000	1	116.4468	3.065	37	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.7537	0.804	4	116.4468	3.065	37	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4718	1.853	31	116.4468	3.065	37	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8720	0.349	2	117.8720	0.122	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.2510	0.000	1	117.2510	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C)	117.6060	0.358	2	117.6060	0.128	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	116.6860	0.000	1	116.6860	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	119.6130	0.000	1	119.6130	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2003	1.051	3	117.2003	1.105	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.1714	3.108	9	120.1714	9.660	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.3645	0.182	2	116.3645	0.033	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4548	0.614	5	116.4548	0.377	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3830	2.374	6	117.3830	5.634	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.5910	0.000	1	116.5660	0.001	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5410	0.000	1	116.5660	0.001	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.1980	0.000	1	117.0927	3.857	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	116.2670	0.000	1	117.0927	3.857	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.1400	0.000	1	117.0927	3.857	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.0230	0.000	1	117.0927	3.857	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0467	2.118	27	117.0927	3.857	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	118.0780	0.000	1	117.0927	3.857	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.6290	0.000	1	116.6290	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	114.7300	1.097	6	114.7300	1.204	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	119.6260	0.000	1	119.6260	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.8370	1.149	3	114.8370	1.321	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4920	0.000	1	115.4920	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.6505	2.551	2	118.6505	6.505	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5003	2.667	19	117.5003	7.115	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1910	0.000	1	118.1910	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	118.4390	2.838	4	118.4390	8.055	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.3190	1.104	5	114.3190	1.219	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.3912	1.544	4	113.3912	2.385	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	114.9205	4.448	2	115.6801	3.582	31	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7060	1.834	25	115.6801	3.582	31	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.8980	1.361	4	115.6801	3.582	31	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.7980	0.000	1	114.7980	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.4310	0.000	1	116.4310	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.8910	0.000	1	117.8910	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	108.8670	0.000	1	110.3950	4.670	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	111.9230	0.000	1	110.3950	4.670	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]C)	118.0780	0.000	1	118.0780	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	115.7950	0.000	1	115.3617	4.686	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	119.3110	0.000	1	115.3617	4.686	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	113.8133	0.439	3	115.3617	4.686	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.6240	0.000	1	115.3617	4.686	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.4167	0.417	3	115.4167	0.174	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.8840	0.000	1	115.8840	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.7710	0.000	1	113.8120	7.675	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	111.8530	0.000	1	113.8120	7.675	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	H(NC[6a]C)	114.7845	3.634	2	114.7845	13.205	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	119.2100	0.000	1	119.2100	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.9100	2.661	4	115.5326	2.969	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.9477	0.761	6	115.5326	2.969	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	H(NC[6a]C)	116.0015	0.253	4	116.0015	0.064	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	H(NC[6a]C)	111.2150	0.000	1	111.2150	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	115.0310	0.000	1	116.2922	2.725	17	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	H(NC[6a]C)	115.3200	0.000	1	116.2922	2.725	17	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.0090	0.326	4	116.2922	2.725	17	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.2345	1.966	11	116.2922	2.725	17	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5575	0.456	2	118.5575	0.208	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.2990	0.000	1	116.0383	4.100	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0999	2.102	12	116.0383	4.100	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3220	0.000	1	118.3220	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.7270	0.000	1	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.0968	2.098	4	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	118.2100	0.000	1	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	114.3761	2.842	18	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.9263	2.959	3	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.3258	2.379	161	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	115.1120	0.000	1	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.5465	1.882	2	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	112.5010	4.416	3	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	113.2750	0.000	1	116.0631	6.394	195	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.0460	0.000	1	118.1397	0.008	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1865	0.052	2	118.1397	0.008	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	114.0275	0.081	2	114.0275	0.007	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.3872	0.423	4	118.1913	2.457	55	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1862	1.640	50	118.1913	2.457	55	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	117.6620	0.000	1	118.1913	2.457	55	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|N<3>}	H(NC[6a]C)	114.5040	0.000	1	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>,3|H<1>}	H(NC[6a]C)	114.2065	2.941	2	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	115.6027	1.851	3	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6a]C)	116.4693	2.076	3	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	H(NC[6a]C)	116.6440	0.000	1	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C)	115.8200	0.000	1	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.4835	1.474	4	116.1021	3.539	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.1128	0.372	5	116.1128	0.138	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.9310	0.000	1	116.8768	5.330	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	112.9640	0.000	1	116.8768	5.330	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6837	2.547	22	116.8768	5.330	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.3211	1.848	16	116.8768	5.330	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9112	2.036	5	118.5262	5.586	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){2|Cl<1>,1|N<2>}	H(NC[6a]C)	121.6010	0.000	1	118.5262	5.586	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0242	1.599	6	116.7804	1.947	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	115.2210	0.000	1	116.7804	1.947	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<2>,2|F<1>}	H(NC[6a]C)	116.8290	0.000	2	116.7804	1.947	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	116.3905	3.435	4	116.3905	11.796	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	116.2598	2.647	19	116.3854	6.953	20	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7710	0.000	1	116.3854	6.953	20	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.9230	0.000	1	117.2262	1.134	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0868	1.128	5	117.2262	1.134	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.7510	0.000	1	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.7260	1.981	6	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	116.2510	0.000	1	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.6306	1.042	8	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C)	116.7280	0.000	1	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4078	2.093	74	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.6730	2.436	3	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	118.0460	0.231	2	116.5564	3.930	96	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|C<4>}	H(NC[6a]C)	114.9350	0.618	2	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	H(NC[6a]C)	116.3430	0.449	4	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.6449	1.161	7	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	115.7233	0.446	3	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.2581	1.737	10	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.4320	0.287	4	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9758	1.614	32	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	113.0355	5.413	2	115.8364	2.677	64	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1050	0.000	1	118.1050	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.3390	0.000	1	115.6408	5.229	62	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.4140	0.000	1	115.6408	5.229	62	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.0985	0.763	2	115.6408	5.229	62	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C)	113.7185	2.231	6	115.6408	5.229	62	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8052	2.288	51	115.6408	5.229	62	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	115.4030	0.000	1	115.6408	5.229	62	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.5654	1.761	14	116.5654	3.103	14	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.4270	0.258	3	116.4270	0.067	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	114.5670	0.000	1	114.5670	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.6463	0.278	3	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.0007	1.153	4	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.0593	2.302	3	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.2579	1.448	48	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	115.8902	0.262	6	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	116.1501	1.445	12	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C)	115.6820	0.000	1	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.4120	2.263	33	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.6348	0.530	16	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	115.7239	0.797	16	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8990	1.795	582	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	H(NC[6a]C)	116.3915	0.489	2	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	116.0263	1.627	7	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.9786	2.621	37	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.3499	2.435	20	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	116.0519	0.622	8	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<3>,2|C<3>}	H(NC[6a]C)	116.1544	0.313	8	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Br<1>,1|C<3>}	H(NC[6a]C)	115.6880	0.000	1	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	115.0067	2.850	10	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	H(NC[6a]C)	115.4830	3.175	4	115.9030	3.337	821	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<2>,2|C<3>}	H(NC[6a]C)	119.4710	0.000	1	119.3442	0.060	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<3>,2|C<3>}	H(NC[6a]C)	119.3125	0.270	4	119.3442	0.060	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.2700	0.000	1	113.2700	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	116.2563	2.436	3	115.8010	4.784	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.4350	0.000	1	115.8010	4.784	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.9360	0.000	1	116.9360	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.9300	3.128	2	114.9300	9.786	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.4490	0.884	3	116.5361	3.954	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	115.4320	0.629	2	116.5361	3.954	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3593	2.210	3	116.5361	3.954	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5657	1.487	4	115.5657	2.212	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4862	0.688	4	116.4862	0.473	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	H(NC[6a]C)	118.1520	0.000	1	118.1520	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	115.7050	0.000	1	115.7050	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	118.8910	0.081	2	118.8910	0.006	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]O)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]O)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1650	0.000	1	118.1650	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6710	0.000	1	116.6710	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4710	0.000	1	118.4710	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.0030	0.000	1	116.3715	5.728	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.4700	0.000	1	116.3715	5.728	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4926	2.430	27	116.3715	5.728	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0660	0.000	1	116.0660	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2310	0.000	1	117.2310	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.0270	0.000	1	117.5113	5.704	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6762	2.472	9	117.5113	5.704	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1160	0.000	1	117.0435	2.301	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.9710	0.000	1	117.0435	2.301	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2950	0.000	1	116.2950	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0170	0.000	1	117.0170	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1900	0.154	3	118.1900	0.024	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4440	1.935	21	115.4440	3.746	21	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9190	0.000	1	115.9190	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8350	0.000	1	117.8350	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	119.3780	0.808	2	119.3780	0.652	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.4950	0.000	1	113.4950	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9920	0.000	1	115.2190	2.528	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.0240	0.113	2	115.2190	2.528	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	112.8360	0.000	1	115.2190	2.528	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9815	1.047	2	115.9815	1.097	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	118.7273	0.611	3	118.7273	0.373	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3495	0.012	2	118.3495	0.000	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0920	0.684	3	116.0920	0.468	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5020	0.000	1	115.5020	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6100	0.000	1	117.6100	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7150	2.968	2	115.7150	8.812	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0880	1.595	4	116.0880	2.544	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0950	0.000	1	117.0950	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.9790	0.000	1	118.9790	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5096	1.426	9	116.5096	2.033	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.7500	3.152	2	120.7500	9.937	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2350	0.000	1	116.2350	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	113.6870	0.000	1	116.4180	2.065	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.7858	0.930	5	116.4180	2.065	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	117.3100	0.000	1	116.4180	2.065	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	114.3183	0.306	3	114.3183	0.094	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	112.6810	0.419	2	115.3217	3.216	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.7295	1.669	2	115.3217	3.216	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4046	1.819	22	115.3217	3.216	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.2017	0.658	3	115.3217	3.216	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3312	1.366	4	118.3312	1.866	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0543	0.846	3	119.0543	0.716	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	H(NC[6a]C)	115.8610	0.000	1	116.1400	0.156	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.4190	0.000	1	116.1400	0.156	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.3009	2.369	14	115.3009	5.611	14	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.2660	0.441	3	116.2660	0.195	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.1495	1.169	2	116.0259	2.504	93	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.9250	0.841	9	116.0259	2.504	93	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9796	1.705	76	116.0259	2.504	93	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.9670	0.351	2	116.0259	2.504	93	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|C<3>}	H(NC[6a]C)	116.4200	0.000	1	116.0259	2.504	93	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	115.9930	0.440	3	116.0259	2.504	93	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6a]C)	118.6810	0.000	1	118.6810	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	115.6430	0.000	1	115.6430	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0420	0.000	1	117.0420	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5340	0.000	1	115.5340	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4580	0.000	1	116.4580	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8020	0.000	1	115.8020	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.3480	0.000	1	114.3480	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2104	1.003	5	117.0328	0.994	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.1450	0.000	1	117.0328	0.994	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.8490	0.000	1	109.8490	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5580	0.000	1	116.5580	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]C)	117.9350	0.000	1	117.9350	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	115.5680	0.000	1	115.5680	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.1710	1.462	2	117.1710	2.138	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.5310	0.000	1	117.7882	2.377	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.2396	1.201	5	117.7882	2.377	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8520	0.000	1	116.8520	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2637	0.640	3	116.2637	0.409	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.1060	0.000	1	119.1060	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.3180	0.000	1	115.3180	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	118.6350	0.000	1	118.6350	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.2039	2.227	18	115.2039	4.962	18	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.1540	0.095	3	115.1540	0.009	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.7210	0.000	1	112.7210	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.3435	0.209	2	115.3435	0.044	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	117.1672	1.125	4	117.1672	1.265	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.7845	1.805	2	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	116.2595	0.783	4	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.2550	0.000	1	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.1320	1.046	3	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2531	1.966	40	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	H(NC[6a]C)	116.1217	0.680	8	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.7040	0.000	1	116.1027	2.923	59	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.8604	2.726	7	114.8604	7.432	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.1200	0.000	1	115.1200	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5440	0.000	1	117.5440	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.2430	0.000	1	115.2430	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.6800	0.000	1	117.6800	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.6050	0.000	1	110.6050	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.7045	7.185	2	119.7045	51.623	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.6420	0.000	2	120.6420	0.000	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	117.9310	0.000	1	118.7554	2.299	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.8928	1.613	6	118.7554	2.299	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	117.9830	0.535	2	117.9830	0.286	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	125.7890	0.000	1	125.7890	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH){2|C<3>}	H(NC[6a]C)	118.2500	0.000	1	118.2500	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.6030	0.000	1	119.6030	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.3950	0.000	1	115.3950	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.8140	1.575	6	120.0230	6.447	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.2770	0.000	1	120.0230	6.447	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.7990	0.000	1	118.5730	4.708	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5165	2.501	4	118.5730	4.708	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7320	0.000	1	115.7320	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.7880	0.000	1	116.7880	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	129.2390	0.000	1	129.2390	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.1790	0.000	1	118.5214	3.823	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	120.6560	0.000	1	118.5214	3.823	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5511	1.850	7	118.5214	3.823	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.2352	1.942	11	118.2262	3.922	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.3825	0.661	2	118.2262	3.922	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.2159	2.110	24	118.2262	3.922	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	119.5043	0.576	3	118.2262	3.922	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7110	0.000	1	117.7110	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	120.5360	5.121	2	118.5670	9.584	65	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	117.1900	0.000	1	118.5670	9.584	65	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.1850	0.813	2	118.5670	9.584	65	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.0225	0.408	2	118.5670	9.584	65	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5745	3.175	54	118.5670	9.584	65	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	120.2887	1.448	4	118.5670	9.584	65	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.8585	2.713	2	112.8585	7.361	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.7163	1.018	3	114.7163	1.036	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.9480	0.000	1	116.9480	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	H(NC[6a]C)	116.6895	0.043	2	116.6895	0.002	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6710	0.000	1	117.6710	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6330	0.000	1	117.6330	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.7760	0.000	1	116.0612	4.755	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9182	2.406	5	116.0612	4.755	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7980	0.000	1	118.7980	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4029	2.002	7	117.4029	4.009	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.6284	1.459	5	115.6284	2.127	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	116.1308	0.721	4	116.1308	0.520	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5950	0.000	1	118.5950	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.9950	0.000	1	118.9950	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.9043	0.880	10	117.0241	0.856	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	118.2220	0.000	1	117.0241	0.856	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.3595	2.979	2	113.3595	8.875	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.1480	1.195	2	113.1480	1.428	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	118.1020	0.000	1	116.0691	1.913	49	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.8460	1.056	6	116.0691	1.913	49	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0500	1.430	41	116.0691	1.913	49	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.1570	0.000	1	116.0691	1.913	49	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4149	1.366	7	118.4149	1.865	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9551	2.053	19	115.9551	4.213	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.7177	3.293	4	113.7177	10.845	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.7235	1.060	2	119.7235	1.124	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.1290	0.000	1	116.1290	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0765	4.078	2	117.0765	16.629	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.2460	0.000	1	114.2460	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.3300	0.707	2	116.7749	3.371	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	117.5600	0.000	1	116.7749	3.371	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0756	2.017	7	116.7749	3.371	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.9800	0.000	1	115.9800	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.6520	0.000	1	114.6520	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6405	3.555	2	116.6405	12.635	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7633	2.671	3	117.7633	7.133	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4260	0.000	1	117.4260	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9920	1.605	2	115.9920	2.576	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7550	0.000	1	115.3955	0.258	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.0360	0.000	1	115.3955	0.258	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.3240	0.000	1	115.3240	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.2690	1.621	2	116.7451	6.287	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8316	2.689	11	116.7451	6.287	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7605	0.977	2	118.7605	0.954	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.0370	0.000	1	114.0370	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0098	2.807	14	116.0098	7.880	14	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.5820	0.000	1	117.2587	6.513	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1940	2.848	5	117.2587	6.513	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.5860	1.205	2	113.5860	1.452	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1825	1.524	13	117.1825	2.321	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1317	0.505	3	117.1317	0.255	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4172	1.707	6	116.1779	2.602	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.4600	1.509	2	116.1779	2.602	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2880	0.000	1	116.2880	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4670	4.775	8	116.4670	22.801	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.0750	1.923	30	115.0750	3.698	30	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.1868	0.209	5	116.1868	0.043	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C)	116.8110	0.000	1	116.8110	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	119.7510	1.336	2	118.5358	4.102	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]C)	115.8020	0.000	1	118.5358	4.102	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.8390	0.000	1	118.5358	4.102	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.1728	1.600	6	115.1728	2.560	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.2575	0.706	2	115.2575	0.499	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.9915	0.011	2	115.9915	0.000	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	111.3840	0.000	1	111.3840	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	115.9160	4.137	3	115.9160	17.113	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.2157	2.604	10	115.2157	6.780	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	H(NC[6a]C)	113.4100	0.000	1	113.4100	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>,2|C<4>}	H(NC[6a]C)	114.6180	0.000	1	114.6180	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	H(NC[6a]C)	115.5887	2.180	3	115.5887	4.751	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	119.2050	0.000	1	119.2050	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,3|C<3>}	H(NC[6a]C)	115.2960	0.000	1	117.2706	1.960	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.0200	0.000	1	117.2706	1.960	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	115.4190	0.000	1	117.2706	1.960	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.1167	0.706	6	117.2706	1.960	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2286	1.593	7	117.0714	2.373	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.9710	0.000	1	117.0714	2.373	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5037	1.179	3	118.5037	1.390	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.3063	0.968	3	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.7690	0.000	1	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.6867	4.227	6	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.0420	3.748	15	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.7050	0.163	2	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0694	2.032	141	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.6350	0.406	2	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	113.1955	2.908	6	115.9209	5.590	176	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7703	0.181	3	118.7703	0.033	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	115.9911	0.364	11	115.9911	0.133	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.4910	0.706	2	118.0410	2.031	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.0699	1.453	38	118.0410	2.031	40	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	114.2440	0.000	1	115.3527	3.694	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]C)	115.3153	2.027	20	115.3527	3.694	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(NC[6a]C)	114.4810	2.775	2	115.3527	3.694	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	116.0650	0.945	2	115.3527	3.694	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	115.1750	0.000	1	115.3527	3.694	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|P<4>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.7070	0.000	1	115.3527	3.694	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	118.2070	0.000	1	119.0615	1.460	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	119.9160	0.000	1	119.0615	1.460	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.1110	0.000	1	117.5172	4.046	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6818	2.159	24	117.5172	4.046	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.8815	0.777	4	117.5172	4.046	29	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3024	1.956	9	117.3024	3.827	9	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	113.9425	0.264	2	115.7802	8.586	28	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	117.2771	1.958	8	115.7802	8.586	28	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.0170	1.034	4	115.7802	8.586	28	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.1011	3.866	11	115.7802	8.586	28	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.8120	0.000	1	115.7802	8.586	28	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>}	H(NC[6a]C)	114.8760	4.538	2	115.7802	8.586	28	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	118.4687	0.851	6	118.1765	1.073	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8258	1.223	5	118.1765	1.073	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.3567	2.352	13	116.3567	5.534	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	115.5560	1.627	4	115.7957	5.605	150	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	114.1130	0.000	1	115.7957	5.605	150	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.7920	0.000	1	115.7957	5.605	150	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8050	2.386	136	115.7957	5.605	150	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.2060	3.165	4	115.7957	5.605	150	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	117.7315	0.240	4	115.7957	5.605	150	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.2240	0.000	1	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.3121	3.242	11	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.9265	0.535	2	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7553	2.044	35	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	114.9830	0.000	1	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.0199	1.989	22	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|O<2>,2|C<3>}	H(NC[6a]C)	114.8470	1.026	6	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	117.6235	0.234	2	115.4212	4.521	80	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4830	0.000	1	115.4830	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.6826	2.412	18	115.6826	5.816	18	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.4770	1.341	26	116.4770	1.799	26	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	115.9390	0.000	1	115.9390	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.2432	2.647	12	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.4881	0.284	15	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.4180	2.110	23	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	116.5165	0.098	2	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	114.9735	2.562	12	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C)	116.2379	0.980	9	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.8676	1.170	10	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.1347	1.396	14	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]C)	115.2980	2.323	3	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	115.7910	0.968	8	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	116.0365	1.329	2	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5247	1.887	313	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	118.1340	0.000	1	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.7679	0.925	17	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.8776	2.366	8	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	115.8279	1.443	29	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	116.8275	1.947	2	116.3514	3.410	480	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	115.8920	0.000	1	115.8920	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(NC[6a]C)	116.7430	0.000	1	115.8470	0.746	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	H(NC[6a]C)	115.6230	0.812	4	115.8470	0.746	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	113.3503	3.968	3	113.3503	15.748	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.0130	0.396	3	116.0130	0.157	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3538	1.920	13	117.3538	3.687	13	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.9380	0.000	1	114.9380	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.1840	1.536	2	113.1840	2.359	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	H(NC[6a]C)	106.1500	0.000	1	106.1500	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,2|C<4>}	H(NC[6a]C)	115.9250	0.000	1	117.3220	3.903	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	H(NC[6a]C)	118.7190	0.000	1	117.3220	3.903	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.8486	3.416	5	114.8486	11.669	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.0263	3.250	3	111.0263	10.560	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2952	0.551	4	117.2952	0.303	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.4646	2.896	20	114.4646	8.386	20	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]O)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5660	0.000	1	115.5660	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)2(NCH){2|H<1>,5|C<3>}	H(NC[6a]C)	120.8010	0.000	1	120.8010	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4880	0.445	2	116.4880	0.198	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4466	1.669	15	118.4466	2.784	15	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5135	0.834	2	117.5135	0.695	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.1830	0.000	1	116.6204	1.078	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4429	1.027	8	116.6204	1.078	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	115.9410	0.000	1	116.6204	1.078	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	118.1570	0.000	1	116.6204	1.078	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.2490	0.000	1	119.2490	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4853	0.959	3	116.4853	0.919	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7656	0.478	5	118.7656	0.229	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(NC[6a]C)	117.1150	0.000	1	117.1150	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4090	1.165	2	116.4090	1.358	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.5607	4.155	3	120.5607	17.264	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7355	0.448	2	117.7355	0.200	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.1410	0.000	1	115.3023	1.100	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8830	0.420	2	115.3023	1.100	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.5620	0.000	1	115.7524	2.558	21	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	115.9620	0.000	1	115.7524	2.558	21	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7566	1.702	18	115.7524	2.558	21	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	114.6580	0.000	1	115.7524	2.558	21	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5395	6.681	2	118.5395	44.642	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1590	0.000	1	117.1590	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.0615	3.047	2	115.0615	9.284	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5130	0.000	1	117.5130	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8500	0.000	1	115.8500	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	122.7670	0.000	1	122.7670	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CIrN)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CIrN)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.1473	1.122	3	120.1473	1.259	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CMoC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CMoC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5130	0.000	1	116.5130	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	119.1825	0.006	2	119.1825	0.000	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	115.1130	0.000	1	115.1130	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.4050	0.871	2	117.6067	2.906	42	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.3550	0.000	1	117.6067	2.906	42	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6492	1.739	39	117.6067	2.906	42	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3445	1.293	22	117.3445	1.671	22	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5895	2.638	2	117.5895	6.960	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5310	2.220	2	116.5310	4.930	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	117.4000	0.000	1	117.4000	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8970	0.000	1	117.8970	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4123	1.673	30	116.4123	2.800	30	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.3200	0.000	1	119.3200	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.5487	0.204	3	116.6618	5.194	110	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	118.2597	4.536	3	116.6618	5.194	110	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5193	2.097	99	116.6618	5.194	110	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	118.1023	4.849	3	116.6618	5.194	110	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.2150	0.000	1	116.6618	5.194	110	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	121.4380	0.000	1	116.6618	5.194	110	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7358	0.891	6	117.7358	0.793	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3410	0.163	2	117.3410	0.026	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5933	0.788	18	117.5933	0.621	18	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.6180	1.305	2	114.6180	1.704	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	123.2995	9.200	2	123.2995	84.643	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	117.5120	0.170	2	117.5120	0.029	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.8933	0.411	6	116.8933	0.169	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	123.3790	0.000	1	123.3790	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	117.6925	0.217	2	117.6925	0.047	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.6120	0.581	2	115.6120	0.338	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	H(NC[6a]C)	116.9880	0.000	1	116.9880	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	115.4630	0.000	1	115.4630	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0020	0.427	2	117.0020	0.182	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6324	2.195	31	116.6324	4.817	31	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.9210	0.134	2	116.9210	0.018	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2268	2.342	5	117.2268	5.485	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	116.4830	0.000	1	117.6278	2.116	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9310	0.891	3	117.6278	2.116	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	117.7455	2.716	2	117.6278	2.116	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	94.6131	0.000	1	115.2069	52.954	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.7040	0.000	1	115.2069	52.954	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5940	0.815	8	115.2069	52.954	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	118.6611	1.382	31	118.6611	1.910	31	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7010	3.461	2	118.7010	11.976	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	115.9305	0.104	2	117.4491	1.429	142	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.5170	0.911	4	117.4491	1.429	142	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	117.4257	1.456	6	117.4491	1.429	142	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4714	1.193	130	117.4491	1.429	142	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	119.1420	0.000	1	115.7396	5.470	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.5425	0.581	6	115.7396	5.470	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.5253	1.281	3	115.7396	5.470	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.2310	2.985	9	115.7396	5.470	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C)	114.0770	0.000	1	116.5520	2.444	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1707	0.840	4	116.5520	2.444	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	118.3090	0.450	2	118.3090	0.202	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|C<4>}	H(NC[6a]C)	116.1970	0.102	2	116.5317	1.500	53	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.5448	1.247	51	116.5317	1.500	53	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.6570	0.031	2	116.6570	0.001	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.5783	2.810	3	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.5961	0.744	18	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.2145	2.059	19	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	116.3043	1.454	3	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C)	119.3098	1.850	5	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.4223	0.913	30	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	117.2334	2.436	5	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	H(NC[6a]C)	115.6443	0.160	3	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C)	117.2985	2.160	6	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.0449	0.934	11	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	117.0895	0.033	2	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6242	1.971	541	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	H(NC[6a]C)	117.6699	3.350	9	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	117.0430	0.000	1	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.6375	2.671	12	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.9462	1.220	8	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	116.3429	0.717	12	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Pd<4>,1|C<3>,1|H<1>}	H(NC[6a]C)	112.5170	0.000	1	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Br<1>,1|C<3>}	H(NC[6a]C)	126.6690	0.000	1	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	116.2320	0.020	2	116.6604	3.854	692	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	118.9937	1.893	3	118.9937	3.583	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[6a])2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[6a])2(NCH){5|C<3>}	H(NC[6a]C)	119.8615	0.070	2	119.8615	0.005	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6170	0.000	1	117.6170	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0180	3.461	2	116.0180	11.976	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4680	0.940	2	117.4680	0.884	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	116.3440	0.000	1	116.3440	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	H(NC[6a]C)	112.6935	3.218	2	112.6935	10.356	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	114.9420	0.000	1	114.9230	4.912	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.9167	2.714	3	114.9230	4.912	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1690	1.642	7	118.1690	2.695	7	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.8908	1.737	13	116.9314	5.349	58	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4809	2.130	43	116.9314	5.349	58	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	113.8835	0.986	2	116.9314	5.349	58	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0724	1.797	21	119.0724	3.229	21	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	114.8520	1.059	2	117.4437	5.548	24	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6501	2.336	18	117.4437	5.548	24	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.8107	2.512	4	117.4437	5.548	24	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4186	1.405	11	118.4186	1.974	11	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1678	2.248	5	117.1678	5.054	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	119.2937	0.325	3	118.9350	0.585	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8590	0.000	1	118.9350	0.585	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4260	0.000	1	118.4260	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0270	2.673	76	116.9996	7.107	77	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.9210	0.000	1	116.9996	7.107	77	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.3380	0.000	1	114.9273	2.057	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.9600	1.468	18	114.9273	2.057	19	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.4140	0.000	1	114.4140	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	117.5528	2.288	5	117.5528	5.237	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.8748	1.445	4	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.3720	2.315	2	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.4616	1.618	11	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	114.8050	0.226	3	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C)	115.4184	0.807	9	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.5480	1.646	5	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.1275	1.451	12	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	114.9444	2.625	19	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.6785	1.913	455	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	117.8797	2.058	7	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.9446	2.081	17	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	116.8080	0.000	1	115.7366	3.769	545	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	117.2180	0.000	1	117.2180	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[4]Mn)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[4]Mn)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.5100	0.000	1	112.5100	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9780	0.000	1	115.9780	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	116.7230	0.000	1	116.7230	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.2684	0.530	5	117.3003	0.688	16	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3147	0.959	11	117.3003	0.688	16	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9040	0.098	2	117.9040	0.010	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.8770	0.000	1	113.8770	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.6846	0.967	5	115.6846	0.935	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3115	0.675	2	117.3115	0.456	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.9010	0.000	1	118.9010	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.9750	0.000	1	116.0045	1.095	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8104	1.042	5	116.0045	1.095	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9130	0.506	4	115.9130	0.256	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5636	0.884	5	116.4218	0.746	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	115.7130	0.000	1	116.4218	0.746	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9860	0.000	1	117.9860	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.3755	1.155	2	116.3755	1.333	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1724	0.615	5	117.1724	0.378	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8980	0.000	2	116.8980	0.000	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.9635	0.665	2	118.9635	0.443	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.1235	0.459	2	116.5315	2.612	18	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4575	1.701	16	116.5315	2.612	18	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5780	0.000	1	116.5780	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7859	1.928	11	115.8755	3.477	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.8610	0.000	1	115.8755	3.477	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNiC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNiC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7230	0.000	1	115.7230	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.7105	1.705	2	117.7105	2.906	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.7930	0.656	4	116.7930	0.431	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.8700	0.000	1	118.8700	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(NC[6a]C)	114.5105	1.768	2	114.5105	3.128	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	119.5690	0.000	1	119.5690	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH){1|C<3>,1|C<4>}	H(NC[6a]C)	118.4913	3.442	8	118.4913	11.850	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	117.6940	0.000	1	116.2887	0.486	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	116.0076	0.125	5	116.2887	0.486	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	116.4610	0.000	1	116.4570	0.229	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.4560	0.553	4	116.4570	0.229	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(NC[6a]C)	116.3530	1.663	2	116.5251	0.848	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	H(NC[6a]C)	115.5455	0.371	2	116.5251	0.848	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	116.3290	0.000	1	116.5251	0.848	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.9300	0.000	1	116.5251	0.848	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.7075	0.669	6	116.5251	0.848	12	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	H(NC[6a]C)	116.1627	0.289	7	116.1653	0.072	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	H(NC[6a]C)	116.1830	0.000	1	116.1653	0.072	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7320	0.000	1	117.7320	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.1335	2.259	2	117.3972	2.592	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4183	1.609	25	117.3972	2.592	27	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(NC[6a]C)	116.9650	0.000	1	116.7085	0.317	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(NC[6a]C)	116.8735	0.866	2	116.7085	0.317	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	H(NC[6a]C)	116.7045	0.616	2	116.7085	0.317	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	116.1300	0.000	1	116.7085	0.317	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|S<2>,3|H<1>}	H(NC[6a]C)	118.3770	0.000	1	117.8890	0.476	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.4010	0.000	1	117.8890	0.476	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	118.4120	0.000	1	118.4120	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	118.4310	0.000	1	118.4310	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C)	116.2820	0.000	1	116.5197	1.850	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|I<1>,1|O<2>}	H(NC[6a]C)	116.6385	1.901	2	116.5197	1.850	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0726	2.138	5	116.0393	3.664	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.8730	0.000	1	116.0393	3.664	6	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.1660	0.000	1	113.1660	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9610	0.618	2	115.9610	0.382	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	117.7550	2.672	10	117.7550	7.141	10	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.7115	1.897	6	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.3510	0.410	2	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	116.7763	1.067	3	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	116.7205	0.090	2	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6537	2.303	121	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	H(NC[6a]C)	117.4430	0.740	3	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.2920	1.591	4	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.4359	0.499	8	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	116.8478	1.116	5	116.6952	4.456	154	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.2465	0.878	2	112.2465	0.770	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	118.5850	0.000	1	118.5850	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.9720	0.922	2	116.9720	0.850	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5583	0.108	3	116.5583	0.012	3	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	112.9607	1.732	3	114.4946	1.778	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	110.2010	0.000	1	114.4946	1.778	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.8123	0.877	28	114.4946	1.778	32	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.9130	0.000	1	114.9130	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.5830	0.000	1	113.5830	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7180	0.000	1	118.7180	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3770	2.463	8	117.3770	6.068	8	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	121.8180	0.000	1	121.8180	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.0850	4.318	2	112.0850	18.642	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.8310	0.000	1	115.2802	1.448	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.8925	0.963	4	115.2802	1.448	5	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CReC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CReC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7540	0.000	1	117.7540	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	122.7610	0.000	1	122.7610	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRuN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRuN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9740	0.000	2	117.9740	0.000	2	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.2355	1.323	4	113.2355	1.750	4	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CSeN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CSeN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	123.3100	0.000	1	123.3100	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CTaC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CTaC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.1180	0.000	1	113.1180	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CWW)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CWW)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6880	0.000	1	116.6880	0.000	1	116.4244	4.813	6397	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH){1|N<3>,2|O<1>}	H(NC[6a]C)	113.5680	0.000	1	113.5680	0.000	1	115.5217	3.103	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	H(NC[6a]C)	116.0080	0.000	1	116.0080	0.000	1	115.5217	3.103	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	H(NC[6a]C)	116.9890	0.000	1	116.9890	0.000	1	115.5217	3.103	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a,6a]-3:C[5,6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	H(NC[6a]C)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C)	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[3]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H)	H(NC[6a]C[3])	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C[3])	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[4]N[4]2)(H)	C[6a](C[6a]C[6a]C)2(NC[4]H)	H(NC[6a]C[4])	N(C[6a]C[6a]2)(C[4]N[4]2)(H)	C[6a](C[6a]C[6a]C)2(NC[4]H){1|C<3>,2|H<1>}	H(NC[6a]C[4])	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[4a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H)	H(NC[4a]C[6a])	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H){2|H<1>,3|C<3>}	H(NC[4a]C[6a])	115.8076	0.347	8	115.8076	0.120	8	115.8076	0.120	8	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[4a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H)	H(NC[4a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H){1|H<1>,3|C<3>}	H(NC[4a]C[6a])	114.6905	1.143	2	114.6905	1.307	2	114.6905	1.307	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]C[5])	118.5090	2.058	2	118.5090	4.234	2	118.5090	4.234	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H){2|H<1>,3|C<3>}	H(NC[6a]C[5])	116.2703	1.791	3	116.2703	3.209	3	116.2703	3.209	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.8083	2.818	3	117.8083	7.940	3	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.8907	1.897	4	117.8907	3.600	4	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	113.2775	0.011	2	113.2775	0.000	2	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C[5])	118.2430	0.000	1	118.2430	0.000	1	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.1360	0.000	1	115.1360	0.000	1	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	113.1750	0.000	1	113.1750	0.000	1	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.4109	1.194	20	116.6550	2.315	23	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	H(NC[6a]C[5])	118.2830	2.709	3	116.6550	2.315	23	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|C<4>}	H(NC[6a]C[5])	116.0915	1.330	2	116.4995	15.874	16	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.5578	4.260	14	116.4995	15.874	16	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	H(NC[6a]C[5])	119.4490	0.000	1	119.4490	0.000	1	116.6270	7.328	52	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	114.7600	0.000	1	114.7600	0.000	1	116.7105	7.609	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	118.6610	0.000	1	118.6610	0.000	1	116.7105	7.609	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6a]C[6])	115.4200	0.000	1	115.4200	0.000	1	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	121.6950	0.000	1	121.6950	0.000	1	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	115.2620	0.000	1	115.2620	0.000	1	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C[6])	116.5230	0.000	1	116.7519	7.087	7	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.8888	2.127	5	116.7519	7.087	7	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	121.2960	0.000	1	116.7519	7.087	7	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.0816	3.105	7	117.0816	9.643	7	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	120.2067	1.050	4	120.2067	1.102	4	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	117.3830	2.249	2	116.0422	4.045	6	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.3717	1.805	4	116.0422	4.045	6	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.9810	0.000	1	116.9810	0.000	1	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.0420	0.000	1	118.0420	0.000	1	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	118.2940	3.589	4	116.3269	4.328	55	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C[6])	115.9090	4.477	3	116.3269	4.328	55	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.2057	1.743	46	116.3269	4.328	55	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|N<2>,2|H<1>}	H(NC[6a]C[6])	115.8065	1.044	2	116.3269	4.328	55	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	112.5170	0.000	1	112.5170	0.000	1	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	117.2850	0.000	1	116.2245	6.325	19	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C[6])	114.5210	0.000	1	116.2245	6.325	19	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]C[6])	119.6530	0.000	1	116.2245	6.325	19	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.0504	2.551	16	116.2245	6.325	19	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.0682	0.412	5	116.0682	0.170	5	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C[6])	114.7375	0.159	2	114.7375	0.025	2	116.4855	5.360	111	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]2)	117.5585	0.306	4	117.5585	0.093	4	117.5585	0.093	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]2)	115.4806	1.523	8	115.4806	2.320	8	115.4806	2.320	8	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(NC[6a]2)	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]2)	115.5355	2.357	2	115.5355	5.554	2	115.5355	5.554	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(NC[6a]2)	120.5530	0.000	1	117.7095	4.981	4	117.7095	4.981	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){2|H<1>,5|C<3>}	H(NC[6a]2)	116.7617	1.443	3	117.7095	4.981	4	117.7095	4.981	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	116.5110	0.000	1	116.5110	0.000	1	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	H(NC[6a]2)	118.3717	1.557	3	118.3717	2.425	3	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	117.5760	0.000	1	117.5760	0.000	1	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	115.5430	0.000	1	115.5430	0.000	1	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	H(NC[6a]2)	115.7840	0.000	1	115.7840	0.000	1	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]2)	118.5600	0.000	1	116.8562	1.301	10	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]2)	116.5360	0.000	1	116.8562	1.301	10	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	116.7527	1.169	7	116.8562	1.301	10	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	116.1970	0.000	1	116.8562	1.301	10	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]2)	114.6150	0.000	1	115.7545	2.597	2	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	116.8940	0.000	1	115.7545	2.597	2	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(NC[6a]2)	112.6070	0.000	1	115.6224	12.525	7	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|H<1>,4|C<3>}	H(NC[6a]2)	114.0970	6.456	2	115.6224	12.525	7	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	117.1390	1.873	4	115.6224	12.525	7	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	H(NC[6a]2)	117.6570	3.649	2	117.6570	13.313	2	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	H(NC[6a]2)	114.1117	0.695	3	114.1300	0.658	6	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	H(NC[6a]2)	114.1483	1.078	3	114.1300	0.658	6	116.1780	4.989	34	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.5620	0.347	4	117.5620	0.120	4	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	118.2340	0.000	1	118.2340	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.6286	0.613	7	114.6286	0.376	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	111.3840	0.000	1	111.3840	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.9616	1.115	5	115.6726	1.239	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	114.2430	0.000	1	115.6726	1.239	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	115.6570	0.000	1	115.6726	1.239	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.9330	0.000	1	117.9330	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	120.6680	0.000	1	120.6680	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.1540	0.000	1	117.1540	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.3160	0.000	1	116.3160	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.1670	2.689	4	118.1670	7.230	4	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.5570	0.000	1	117.5570	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.9130	0.000	1	112.9130	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.3157	1.716	6	118.3157	2.946	6	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	115.4210	1.048	7	115.4210	1.098	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.0350	0.000	1	115.0350	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.6616	2.706	12	116.6616	7.323	12	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	111.4260	0.000	1	111.4260	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	116.3720	2.545	3	114.3368	7.970	30	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]2)	113.3589	3.389	11	114.3368	7.970	30	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.1474	1.194	8	114.3368	7.970	30	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	113.1076	2.141	8	114.3368	7.970	30	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.4710	0.000	1	115.4710	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	115.0708	1.762	4	115.0708	3.104	4	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.6380	0.000	1	118.6380	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(NC[6a]2)	118.7230	0.000	1	118.7230	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]2)	116.9450	0.000	1	116.9450	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.4995	1.759	2	115.4995	3.093	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.4120	0.000	1	115.4120	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	114.8355	0.542	6	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	115.9741	1.674	8	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	115.0390	0.508	3	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	115.3150	1.267	3	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.3468	2.004	38	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	115.4890	0.000	1	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	113.8050	0.000	1	115.9723	3.311	60	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	115.7200	0.848	3	115.7200	0.719	3	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	115.1190	0.000	1	115.1190	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	116.1710	0.000	1	116.1710	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	116.9702	2.484	14	117.0740	5.891	15	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	118.5270	0.000	1	117.0740	5.891	15	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H){2|C<3>}	H(NC[6a]2)	113.4850	0.000	1	113.4850	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]2)	117.1275	0.653	2	117.1275	0.426	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	117.0685	2.057	2	117.0685	4.231	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	114.0220	0.000	1	114.0220	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]2)	116.9935	0.228	2	115.9134	23.741	14	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	114.0358	6.748	4	115.9134	23.741	14	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	116.5821	4.659	8	115.9134	23.741	14	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	117.9880	0.000	1	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]2)	117.5677	0.868	3	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	117.9818	1.693	38	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	118.6060	0.000	1	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.7345	2.758	184	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	117.2457	2.051	27	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	116.0345	0.753	8	116.2659	6.961	262	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.9300	0.293	2	115.9300	0.086	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	117.7638	1.485	5	118.1105	4.595	53	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.1466	2.210	48	118.1105	4.595	53	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]2)	115.9818	1.803	15	116.0004	3.431	17	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(NC[6a]2)	116.1400	3.058	2	116.0004	3.431	17	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	117.6500	1.930	4	116.6260	5.596	27	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.3160	2.396	22	116.6260	5.596	27	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){2|Cl<1>,1|N<2>}	H(NC[6a]2)	119.3500	0.000	1	116.6260	5.596	27	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.5150	0.000	1	112.7360	45.678	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>}	H(NC[6a]2)	107.9570	0.000	1	112.7360	45.678	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|F<1>}	H(NC[6a]2)	116.8667	0.351	3	116.8667	0.123	3	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	112.6030	0.000	1	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]2)	117.1570	1.475	2	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	114.3048	3.403	13	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	116.8886	2.345	35	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]2)	119.6200	0.000	1	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<6>}	H(NC[6a]2)	116.8040	0.000	1	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.1402	2.287	34	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|N<2>,2|H<1>}	H(NC[6a]2)	117.8025	0.861	2	116.2334	6.782	89	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]2)	111.9940	3.932	2	115.3087	20.116	12	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	112.8870	0.000	1	115.3087	20.116	12	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	113.1287	3.822	4	115.3087	20.116	12	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	119.2780	0.000	1	115.3087	20.116	12	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.7590	4.154	4	115.3087	20.116	12	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.7646	1.910	8	117.7646	3.646	8	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	113.9247	2.363	3	115.6490	8.392	10	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.2037	4.127	4	115.6490	8.392	10	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	H(NC[6a]2)	116.6337	0.320	3	115.6490	8.392	10	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H){1|C<3>,1|N<2>}	H(NC[6a]2)	123.1080	0.000	1	123.1080	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	122.8260	0.000	1	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	117.2571	1.809	23	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	115.1797	6.037	6	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	114.5990	0.762	2	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]2)	119.6570	0.000	1	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]2)	116.6167	0.660	3	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.9920	2.364	246	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|N<3>}	H(NC[6a]2)	115.4350	1.286	3	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|O<2>}	H(NC[6a]2)	115.7145	1.033	2	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	117.8865	3.081	8	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	116.6690	0.182	2	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	H(NC[6a]2)	115.5730	1.382	2	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){3|C<3>}	H(NC[6a]2)	111.4720	0.000	1	116.1345	6.183	300	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.0365	0.397	2	115.0365	0.157	2	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(NC[6a]2)	115.2590	0.000	1	115.2590	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	118.7260	0.158	5	118.7260	0.025	5	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	116.3440	1.123	7	116.3440	1.260	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	114.8770	0.000	1	114.8770	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	116.4582	1.342	9	116.4582	1.802	9	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	115.8770	2.993	3	116.7403	4.918	25	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	117.9715	0.924	2	116.7403	4.918	25	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	116.8020	2.602	12	116.7403	4.918	25	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	116.6636	1.667	8	116.7403	4.918	25	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.3087	1.078	22	118.3087	1.161	22	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]2)	114.0770	0.000	1	114.0770	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]2)	114.8252	0.404	4	114.6732	0.549	6	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.3690	1.407	2	114.6732	0.549	6	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.5480	0.718	5	117.5480	0.516	5	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.6231	1.716	7	117.6231	2.945	7	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.8673	2.205	3	115.8673	4.863	3	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.2310	0.000	1	114.2310	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	115.4364	0.874	10	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]2)	116.2658	2.387	17	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	116.3710	0.000	2	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.4277	2.744	98	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	116.8645	1.962	2	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	H(NC[6a]2)	115.3860	0.923	3	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){2|Cl<1>,1|C<3>}	H(NC[6a]2)	112.7740	0.000	1	115.5503	6.493	133	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	116.9960	0.000	1	116.9960	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	120.0560	0.000	1	120.0560	0.000	1	116.2343	6.580	1214	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]2)	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:Ge[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(Ge[6]N[6]2)(H)	C[6a](C[6a]C[6a]C)2(NGe[6]H)	H(NC[6a]Ge[6])	N(C[6a]C[6a]2)(Ge[6]N[6]2)(H)	C[6a](C[6a]C[6a]C)2(NGe[6]H){1|C<3>,2|H<1>}	H(NC[6a]Ge[6])	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:In-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(InNN)(H)	C[6a](C[6a]C[6a]C)2(NInH)	H(NC[6a]In)	N(C[6a]C[6a]2)(InNN)(H)	C[6a](C[6a]C[6a]C)2(NInH){1|C<3>,2|H<1>}	H(NC[6a]In)	120.3698	2.844	6	120.3698	8.087	6	120.3698	8.087	6	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	H(NC[6a]N)	120.5560	0.000	1	120.5560	0.000	1	117.4240	6.938	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	H(NC[6a]N)	114.2100	0.000	1	114.2100	0.000	1	117.4240	6.938	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NRuN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NRuN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHN){2|H<1>,3|C<3>}	H(NC[6a]N)	117.4650	0.819	2	117.4650	0.670	2	117.4240	6.938	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	H(NC[6a]N)	120.5030	0.000	1	120.5030	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]N)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.7750	0.000	1	120.7750	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(NHN){1|H<1>,4|C<3>}	H(NC[6a]N)	109.7050	0.000	1	109.7050	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	107.8500	0.000	1	107.8500	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]F)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	H(NC[6a]N)	116.9305	5.843	4	116.9305	34.140	4	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.8936	2.050	5	120.8936	4.201	5	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.4642	4.562	14	118.4642	20.813	14	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.1685	1.761	2	120.1685	3.103	2	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	115.3563	0.994	3	115.3563	0.989	3	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	116.5907	2.921	4	117.9752	15.982	5	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|N<2>,2|H<1>}	H(NC[6a]N)	123.5130	0.000	1	117.9752	15.982	5	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.5063	0.638	3	119.5063	0.407	3	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]P)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]P)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	112.3380	0.000	2	112.3380	0.000	2	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN){1|H<1>,2|C<3>}	H(NC[6a]N)	119.1550	0.110	2	119.1550	0.012	2	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]N)	116.9260	0.000	1	116.9260	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	115.9263	3.661	3	115.9263	13.403	3	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.7060	0.000	1	120.7060	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.2840	0.000	1	117.2840	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.1497	2.581	3	117.1497	6.663	3	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.9790	0.000	1	117.9790	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	126.4660	0.000	1	126.4660	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	119.9940	0.000	1	119.9940	0.000	1	117.9624	17.066	56	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H)	H(NC[6a]N[5])	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H){1|H<1>,3|C<3>}	H(NC[6a]N[5])	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]N[5])	121.5190	0.000	1	121.5190	0.000	1	116.9463	10.374	7	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H){1|C<3>,2|H<1>}	H(NC[6a]N[5])	119.3210	0.000	1	119.3210	0.000	1	116.9463	10.374	7	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	H(NC[6a]N[5])	115.5568	2.551	5	115.5568	6.510	5	116.9463	10.374	7	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	H(NC[6a]N[6])	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	H(NC[6a]N[6])	116.3295	7.588	2	116.3295	57.577	2	116.3295	57.577	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6a]H)	H(NC[6a]N[6a])	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6a]H){1|C<3>,2|H<1>}	H(NC[6a]N[6a])	122.1210	0.016	2	122.1210	0.000	2	122.1210	0.000	2	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	H(NC[6a]P)	116.5180	0.622	2	116.5180	0.387	2	116.2914	10.876	13	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	118.1400	0.000	1	118.1400	0.000	1	116.2914	10.876	13	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	119.4240	0.000	1	119.4240	0.000	1	116.2914	10.876	13	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.0554	3.442	5	115.0554	11.848	5	116.2914	10.876	13	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	112.8360	2.893	2	112.8360	8.372	2	116.2914	10.876	13	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNN)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNN)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	120.1195	0.452	2	120.1195	0.204	2	116.2914	10.876	13	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P[4]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H){1|C<3>,2|H<1>}	H(NC[6a]P[4])	111.3290	0.748	2	111.3290	0.560	2	113.3857	12.969	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P[4]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	H(NC[6a]P[4])	117.4990	0.000	1	117.4990	0.000	1	113.3857	12.969	3	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.0763	3.696	3	116.0763	13.664	3	116.8803	11.695	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	119.2920	0.000	1	119.2920	0.000	1	116.8803	11.695	4	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	H(NC[6a]N[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N[5a])	117.1200	0.000	1	117.1200	0.000	1	116.4513	3.242	8	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H)	H(NC[6a]N[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	H(NC[6a]N[5a])	116.3557	1.923	7	116.3557	3.698	7	116.4513	3.242	8	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H)	H(NN[6,6]C[6a])	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H){1|C<3>,2|H<1>}	H(NN[6,6]C[6a])	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	H(NC[6a]N[6])	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	H(NC[6a]N[6])	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	116.3738	5.310	8831	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.8110	0.000	1	114.8110	0.000	1	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	113.5935	1.749	8	113.5448	2.456	10	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	H(NC[6a]C)	113.8940	0.000	1	113.5448	2.456	10	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	H(NC[6a]C)	112.8060	0.000	1	113.5448	2.456	10	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	117.8655	0.326	2	117.8655	0.106	2	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	H(NC[6a]C)	116.1650	0.569	2	116.9863	2.185	3	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	H(NC[6a]C)	118.6290	0.000	1	116.9863	2.185	3	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	118.8280	0.000	1	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.0887	0.331	3	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	117.4560	0.000	1	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	117.0241	2.034	18	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	H(NC[6a]C)	118.3690	1.469	7	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	114.9010	0.000	1	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	H(NC[6a]C)	117.8076	0.378	5	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	H(NC[6a]C)	118.8393	0.799	3	117.5904	2.890	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]N[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	H(NC[6a]C)	117.0750	0.000	1	117.0750	0.000	1	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[5]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[5]HH)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	H(NC[6a]C)	120.9980	0.000	1	120.9980	0.000	1	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	H(NC[6a]C)	119.1910	0.000	1	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]C)	118.6670	0.143	2	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	116.4984	1.451	11	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.7705	0.005	2	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	H(NC[6a]C)	118.2205	0.289	2	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	119.3680	0.000	1	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	H(NC[6a]C)	118.3260	0.000	1	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	117.4825	0.504	2	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	H(NC[6a]C)	117.5790	2.271	17	117.5767	3.577	39	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]N[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	H(NC[6a]C)	118.0670	0.000	1	118.0670	0.000	1	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.2985	1.026	6	118.2985	1.052	6	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]C)	116.8410	0.000	1	117.8077	1.373	7	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2400	0.000	1	117.8077	1.373	7	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	H(NC[6a]C)	118.1146	1.276	5	117.8077	1.373	7	117.2641	4.240	110	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C[6]-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C[6])	116.7350	0.000	1	117.2997	2.084	4	117.2997	2.084	4	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C[6]-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	H(NC[6a]C[6])	115.5880	0.000	1	117.2997	2.084	4	117.2997	2.084	4	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C[6]-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|N<2>,2|C<3>}	H(NC[6a]C[6])	118.4380	0.642	2	117.2997	2.084	4	117.2997	2.084	4	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	118.2367	2.084	43	117.9181	5.032	82	117.9181	5.032	82	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	H(NC[6a]S)	117.9095	2.121	24	117.9181	5.032	82	117.9181	5.032	82	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.1058	2.888	13	117.9181	5.032	82	117.9181	5.032	82	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|C<4>}	H(NC[6a]S)	117.9360	0.000	1	117.9181	5.032	82	117.9181	5.032	82	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|O<2>}	H(NC[6a]S)	114.9650	0.000	1	117.9181	5.032	82	117.9181	5.032	82	117.5384	4.597	196	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH){1|Cl<1>,4|C<3>}	H(NC[6a]C)	115.9440	0.000	1	115.9440	0.000	1	118.0819	4.506	7	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH){3|C<3>}	H(NC[6a]C)	118.8230	0.000	1	118.8230	0.000	1	118.0819	4.506	7	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	119.6170	0.000	1	119.6170	0.000	1	118.0819	4.506	7	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	117.2690	0.000	1	117.2690	0.000	1	118.0819	4.506	7	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.8680	0.000	1	117.8680	0.000	1	118.0819	4.506	7	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	118.5260	4.296	2	118.5260	18.459	2	118.0819	4.506	7	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	H(NC[6a]C)	116.9810	0.000	1	116.9810	0.000	1	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	115.8070	0.000	1	115.8070	0.000	1	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	120.1500	0.000	1	120.1500	0.000	1	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	H(NC[6a]C)	119.2100	0.000	1	118.0582	3.200	6	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	H(NC[6a]C)	117.8630	1.943	3	118.0582	3.200	6	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	H(NC[6a]C)	117.7750	2.616	2	118.0582	3.200	6	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	H(NC[6a]C)	121.1520	0.000	1	121.1520	0.000	1	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6a]C)	118.2800	0.000	1	118.2800	0.000	1	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CC[3]HH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[3]HH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	H(NC[6a]C)	119.2480	0.034	2	119.2480	0.001	2	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	H(NC[6a]C)	122.7550	0.000	1	122.7550	0.000	1	118.7121	4.241	14	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	O[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C[3]-4:H-1:	S[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]S[6a])(C[3]C[3]2H)(H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(NC[3]H)	H(NC[6a]C[3])	N(C[6a]C[6a]S[6a])(C[3]C[3]2H)(H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(NC[3]H){1|O<1>,2|C<3>}	H(NC[6a]C[3])	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C[6]-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	H(NC[6a]C[6])	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	118.3239	4.197	24	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	114.3880	0.000	1	114.3880	0.000	1	117.7597	2.050	8	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	H(NC[6a]C)	118.2665	0.172	2	118.2665	0.030	2	117.7597	2.050	8	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C)	118.2580	0.000	1	118.0420	0.103	3	117.7597	2.050	8	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]C)	117.9340	0.368	2	118.0420	0.103	3	117.7597	2.050	8	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.5155	0.923	2	118.5155	0.852	2	117.7597	2.050	8	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.3167	0.697	4	118.7440	0.547	7	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]C)	119.2725	0.332	2	118.7440	0.547	7	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]C)	119.3960	0.000	1	118.7440	0.547	7	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.9640	4.286	2	118.9640	18.374	2	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.9410	0.000	1	118.9410	0.000	1	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.6797	0.691	6	118.5550	0.361	13	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	H(NC[6a]C)	118.5710	0.000	1	118.5550	0.361	13	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	H(NC[6a]C)	118.9750	0.000	1	118.5550	0.361	13	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.3182	0.592	5	118.5550	0.361	13	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	118.2165	0.025	2	118.2165	0.001	2	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.7290	0.187	2	118.6260	0.049	3	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.4200	0.000	1	118.6260	0.049	3	118.6287	0.997	28	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	H(NC[6a]C)	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.8670	0.536	2	116.8670	0.287	2	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,1|O<2>,3|C<3>}	H(NC[6a]C)	116.6130	0.000	1	116.6130	0.000	1	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	H(NC[6a]C)	119.4280	0.000	1	119.4275	0.000	2	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	119.4270	0.000	1	119.4275	0.000	2	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	118.1900	0.321	2	118.1900	0.103	2	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]C)	118.3535	1.358	2	118.3535	1.845	2	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	117.7570	0.006	2	117.7570	0.000	2	117.9821	1.124	11	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	119.3090	0.000	1	119.3090	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	117.6545	0.032	2	118.3158	0.391	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	118.6765	0.180	2	118.3158	0.391	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	H(NC[6a]C)	118.6165	0.779	2	118.3158	0.391	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C)	109.4830	0.000	1	116.2660	8.239	11	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.5690	0.000	1	116.2660	8.239	11	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	119.0540	0.000	1	116.2660	8.239	11	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|N<2>}	H(NC[6a]C)	114.9755	0.062	2	116.2660	8.239	11	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	H(NC[6a]C)	117.4782	1.787	6	116.2660	8.239	11	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7267	1.931	10	115.7666	3.873	13	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	118.4960	0.000	1	115.7666	3.873	13	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	H(NC[6a]C)	114.6015	1.653	2	115.7666	3.873	13	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.0465	0.416	2	117.6871	2.286	9	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	117.5844	1.722	7	117.6871	2.286	9	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.7230	1.165	3	120.7230	1.358	3	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	H(NC[6a]C)	117.6660	0.000	1	117.6660	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	121.2800	0.000	1	119.5523	2.246	3	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	H(NC[6a]C)	118.6885	0.122	2	119.5523	2.246	3	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	114.6170	0.000	1	114.6170	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	116.8350	0.000	1	117.6145	1.215	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3940	0.000	1	117.6145	1.215	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.3700	0.000	1	119.3700	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	H(NC[6a]C)	114.2230	0.000	1	114.2230	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5995	1.213	2	117.5995	1.471	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2785	0.389	4	117.2362	0.123	5	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	117.0670	0.000	1	117.2362	0.123	5	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.2840	4.292	4	114.2840	18.424	4	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.6962	0.442	4	118.2056	1.013	14	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.0190	0.000	1	118.2056	1.013	14	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	117.5763	0.382	3	118.2056	1.013	14	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	120.6040	0.000	1	118.2056	1.013	14	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	117.6163	0.971	3	118.2056	1.013	14	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	117.9460	1.134	2	118.2056	1.013	14	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.0647	1.877	3	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	117.6280	0.000	1	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.1026	1.185	10	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	116.7793	2.626	3	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5346	1.144	8	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.7240	0.000	1	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	H(NC[6a]C)	118.4790	0.000	1	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){3|C<3>}	H(NC[6a]C)	118.1660	0.000	1	117.9583	2.244	28	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	117.9705	0.323	2	117.8773	0.112	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	H(NC[6a]C)	117.5425	0.081	2	117.8773	0.112	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	H(NC[6a]C)	117.9080	0.000	1	117.8773	0.112	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	H(NC[6a]C)	118.3300	0.000	1	117.8773	0.112	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	117.1950	0.000	1	117.1950	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8503	1.297	6	116.8503	1.682	6	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.2950	0.000	1	114.2950	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	118.0480	0.000	1	118.0480	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C)	118.1660	0.000	1	118.3685	0.082	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	118.5710	0.000	1	118.3685	0.082	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.6215	3.352	4	115.0566	9.375	5	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C)	116.7970	0.000	1	115.0566	9.375	5	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	H(NC[6a]C)	118.2960	0.000	1	118.2960	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8265	1.165	2	115.8265	1.356	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.9680	5.884	3	116.9680	34.622	3	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.4565	0.193	2	111.4565	0.037	2	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHPP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHPP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.6560	0.000	1	112.6560	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5410	0.000	1	117.5410	0.000	1	117.1848	5.335	137	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:O[6a]-2:N-3:	N-3:	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH)	H(NC[6a]C)	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH){4|C<3>}	H(NC[6a]C)	116.8020	0.000	1	116.8020	0.000	1	120.2970	11.419	3	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,2|N<2>}	H(NC[6a]C)	123.5470	0.000	1	123.5470	0.000	1	120.2970	11.419	3	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(CH3)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[5a,6a]N[6a])(CH3)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,2|N<2>}	H(NC[6a]C)	120.5420	0.000	1	120.5420	0.000	1	120.2970	11.419	3	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C)	119.6058	0.860	4	119.6058	0.740	4	118.9767	1.778	16	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C)	118.3628	1.259	8	118.7568	2.784	9	118.9767	1.778	16	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	H(NC[6a]C)	121.9090	0.000	1	118.7568	2.784	9	118.9767	1.778	16	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C)	118.6680	0.000	1	118.6680	0.000	1	118.9767	1.778	16	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	H(NC[6a]C)	118.8630	0.211	2	118.8630	0.044	2	118.9767	1.778	16	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[3]-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	H(NC[6a]C[3])	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|C<3>,1|N<2>,2|N<3>}	H(NC[6a]C[3])	117.4490	1.766	2	117.4393	1.046	4	117.4393	1.046	4	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[3]-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	H(NC[6a]C[3])	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]C[3])	117.4295	0.132	2	117.4393	1.046	4	117.4393	1.046	4	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[3]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H)	H(NC[6a]C[3])	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]C[3])	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[3x6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H)	H(NC[3x6]C[6a])	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H){1|C<3>,2|H<1>}	H(NC[3x6]C[6a])	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C[5])	116.6000	0.113	2	116.6000	0.013	2	116.6000	0.013	2	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]C[5])	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C[6])	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	H(NC[6a]C[6])	117.8070	0.000	1	117.8070	0.000	1	118.4652	6.010	6	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6a]C[6])	114.5950	0.000	1	118.3425	28.088	2	118.4652	6.010	6	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	H(NC[6a]C[6])	122.0900	0.000	1	118.3425	28.088	2	118.4652	6.010	6	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	119.3850	0.000	1	119.3850	0.000	1	118.4652	6.010	6	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|O<2>,2|C<3>}	H(NC[6a]C[6])	119.0280	0.000	1	118.4570	0.652	2	118.4652	6.010	6	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|S<2>,2|C<3>}	H(NC[6a]C[6])	117.8860	0.000	1	118.4570	0.652	2	118.4652	6.010	6	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PCCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PCCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.7765	0.704	2	113.7765	0.495	2	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]P)	114.9570	0.000	1	115.8143	0.759	3	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.2430	0.645	2	115.8143	0.759	3	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.3920	1.687	2	116.3920	2.846	2	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	114.2970	0.000	1	114.2970	0.000	1	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.5310	1.321	2	116.5310	1.745	2	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.5040	1.095	2	116.5040	1.198	2	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.5575	0.540	2	116.5575	0.291	2	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PN3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PN3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.2403	0.892	3	117.2403	0.795	3	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.3445	1.035	6	115.3445	1.071	6	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PSeCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PSeCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.0140	0.000	1	116.0140	0.000	1	115.8777	1.598	24	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H){1|C<3>,2|H<1>}	H(NC[6a]P[6])	115.0955	0.144	2	115.0955	0.021	2	115.0955	0.021	2	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	H(NC[6a]S)	117.7845	0.415	2	117.7845	0.172	2	117.7845	0.172	2	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	115.1180	0.000	1	115.1180	0.000	1	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.7410	4.297	5	117.1839	11.828	8	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a]S)	119.9740	0.000	1	117.1839	11.828	8	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	116.8960	0.154	2	117.1839	11.828	8	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|N<2>,1|O<2>}	H(NC[6a]S)	117.2110	0.000	1	116.6645	0.597	2	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a]S)	116.1180	0.000	1	116.6645	0.597	2	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	H(NC[6a]S)	113.7663	1.680	3	113.7663	2.823	3	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	H(NC[6a]S)	119.0525	1.848	2	118.6697	2.147	3	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	H(NC[6a]S)	117.9040	0.000	1	118.6697	2.147	3	116.6604	8.446	17	117.3989	4.708	266	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	B[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]B[6a]C[6a])(CCHH)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]B[6a]C[6a])(CCHH)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]C)	119.0240	0.000	1	119.0240	0.000	1	118.9190	0.022	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	B[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]C)	118.8140	0.000	1	118.8140	0.000	1	118.9190	0.022	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	117.4525	0.919	2	117.4525	0.844	2	118.2920	0.949	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(NC[6a]C)	118.7750	0.000	1	118.7750	0.000	1	118.2920	0.949	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]C)	118.8900	0.772	2	118.8900	0.596	2	118.2920	0.949	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(NC[6a]C)	121.6980	0.000	1	120.5640	2.572	2	119.7715	1.776	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]C)	119.4300	0.000	1	120.5640	2.572	2	119.7715	1.776	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(NC[6a]C)	121.0100	0.000	1	121.0100	0.000	1	119.7715	1.776	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(NC[6a]C)	119.1035	0.644	2	119.1035	0.415	2	119.7715	1.776	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(NC[6a]C)	118.2840	0.000	1	118.2840	0.000	1	119.7715	1.776	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	N-3:	N(C[6a]C[6,6,6a]2)(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH)	H(NC[6a]C)	N(C[6a]C[6,6,6a]2)(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH){2|C<4>,2|H<1>,5|C<3>}	H(NC[6a]C)	117.8270	0.000	1	117.8270	0.000	1	117.8270	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C)	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	116.2570	0.000	1	116.2570	0.000	1	119.0027	22.532	9	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	115.6790	0.760	3	115.6790	0.578	3	119.0027	22.532	9	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	129.2650	0.000	1	129.2650	0.000	1	119.0027	22.532	9	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	117.5240	0.000	1	117.5240	0.000	1	119.0027	22.532	9	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]C)	118.3605	1.695	2	118.3605	2.873	2	119.0027	22.532	9	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	124.2200	0.000	1	124.2200	0.000	1	119.0027	22.532	9	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){1|N<2>,2|H<1>,4|C<3>}	H(NC[6a]C)	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	107.2790	0.000	1	107.2790	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.1405	0.260	4	117.1405	0.068	4	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.4930	0.000	2	117.4930	0.000	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.4375	0.093	2	117.4375	0.009	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	117.4300	1.030	4	117.4300	1.060	4	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	113.4710	0.000	1	113.4710	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	H(NC[6a]C)	114.9790	0.000	1	114.9790	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	115.5270	0.000	1	114.1273	2.241	3	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	113.4275	1.242	2	114.1273	2.241	3	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	109.4845	4.287	2	119.1942	9.571	31	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	118.3420	0.000	1	119.1942	9.571	31	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	120.0039	1.619	25	119.1942	9.571	31	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.2040	0.284	3	119.1942	9.571	31	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	112.4933	3.328	4	113.3824	12.257	5	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|N<2>,3|C<3>}	H(NC[6a]C)	116.9390	0.000	1	113.3824	12.257	5	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	119.3185	2.870	2	119.3185	8.238	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.3610	0.000	1	114.3610	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.0255	4.782	2	119.0255	22.869	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]C)	109.3630	0.000	1	113.1190	28.215	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	116.8750	0.000	1	113.1190	28.215	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.7890	0.000	1	118.7890	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	113.8210	0.000	1	112.8890	1.737	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	111.9570	0.000	1	112.8890	1.737	2	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	120.5660	0.000	1	120.5660	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	113.4020	0.000	1	113.4020	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	115.1070	0.000	1	115.1070	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.3010	0.477	3	118.3010	0.227	3	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNiNS)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNiNS)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.3300	0.000	1	119.3300	0.000	1	117.3711	12.582	71	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	115.2680	0.000	1	115.3453	0.110	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]C)	115.7090	0.000	1	115.3453	0.110	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.0590	0.000	1	115.3453	0.110	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.3280	0.000	1	115.3280	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	118.9490	1.819	3	114.8497	7.976	16	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	111.4500	0.000	1	114.8497	7.976	16	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.1082	2.010	12	114.8497	7.976	16	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8780	0.000	1	116.8780	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	119.1028	1.501	13	119.1028	2.253	13	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.4973	4.308	10	112.4973	18.557	10	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	115.4365	1.821	2	115.4365	3.315	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.3410	0.000	1	109.3410	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	H(NC[6a]C)	119.4100	0.000	1	116.5015	8.682	10	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.8963	2.487	3	116.5015	8.682	10	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.3193	2.936	6	116.5015	8.682	10	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5620	0.375	2	118.5620	0.140	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	H(NC[6a]C)	117.4665	0.561	2	117.0912	9.342	15	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.0335	3.293	13	117.0912	9.342	15	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]N)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]N)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	113.5670	0.000	1	113.5670	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH){3|C<3>}	H(NC[6a]C)	117.5670	0.000	1	117.5670	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	117.8729	1.479	45	117.8729	2.188	45	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.5950	0.000	1	114.5950	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	119.0690	0.000	1	119.0690	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	H(NC[6a]C)	112.2590	0.000	1	112.2590	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	124.3960	0.000	1	124.3960	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	118.4840	0.000	1	118.4840	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	118.3290	0.000	1	118.3290	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|N<3>}	H(NC[6a]C)	118.8410	0.000	1	118.8410	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	H(NC[6a]C)	117.9480	0.000	1	117.9480	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	120.6900	0.000	1	118.2869	4.472	9	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9865	2.045	8	118.2869	4.472	9	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.1720	0.000	1	119.1720	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.8560	1.481	3	110.8560	2.194	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	124.2590	0.000	1	124.2590	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|N<3>,1|O<1>}	H(NC[6a]C)	118.5355	0.445	2	118.5355	0.198	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9670	0.000	1	117.9670	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH){1|N<3>,1|O<1>}	H(NC[6a]C)	117.3950	2.185	2	117.3950	4.774	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	111.1270	2.033	4	111.1270	4.134	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C)	117.1185	4.430	2	116.3010	10.246	96	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.2473	2.451	33	116.3010	10.246	96	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.3032	3.559	61	116.3010	10.246	96	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	111.5310	0.000	1	118.9163	26.446	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	121.3780	1.819	3	118.9163	26.446	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5060	0.000	1	118.5060	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.2070	1.475	2	118.2070	2.176	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.7225	0.424	2	116.4824	8.947	59	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4587	3.058	56	116.4824	8.947	59	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.3270	0.000	1	116.4824	8.947	59	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(NC[6a]C)	112.2450	0.000	1	112.2450	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7705	1.189	8	117.7705	1.413	8	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3575	0.250	2	117.3575	0.062	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3160	0.294	2	118.3160	0.087	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9775	1.119	2	115.9775	1.253	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	H(NC[6a]C)	123.1340	0.000	1	123.1340	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.4370	0.000	1	110.4370	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	107.1360	0.000	1	112.2445	52.194	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3530	0.000	1	112.2445	52.194	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0650	0.000	1	119.0650	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(NC[6a]C)	119.3785	0.448	2	119.3785	0.200	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2640	0.000	1	116.2640	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	111.8290	0.000	1	116.0387	19.351	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4420	4.149	3	116.0387	19.351	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.0580	0.000	1	113.0580	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.1680	0.000	1	116.0297	2.889	22	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.0231	1.741	21	116.0297	2.889	22	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	123.3130	0.000	1	120.2535	18.721	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1940	0.000	1	120.2535	18.721	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.0750	0.000	1	118.0750	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.6000	1.069	2	118.6000	1.143	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.8110	0.222	2	118.8110	0.049	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.6320	0.000	1	119.6320	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3520	0.000	1	118.3520	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0555	0.275	2	119.0555	0.076	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0760	0.000	1	119.0760	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9565	0.967	2	115.9565	0.934	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.6478	0.962	5	118.6478	0.925	5	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.9580	0.000	1	110.9580	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.2690	0.000	1	118.2690	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	119.8050	0.000	1	119.8050	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]2Pd)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]2Pd)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.0570	0.000	1	115.0570	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.9170	2.138	2	116.9170	4.572	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8410	4.368	4	116.8410	19.079	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7900	0.000	1	115.7900	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.6158	2.613	4	116.6158	6.830	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	118.9410	0.000	1	118.9410	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.9530	0.000	1	113.7482	154.327	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	112.6800	14.988	3	113.7482	154.327	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	127.3030	0.000	1	127.3030	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2007	2.054	4	116.2007	4.218	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.6980	0.000	1	109.6980	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7975	6.099	2	115.7975	37.195	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.6980	0.000	1	113.6980	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	119.2440	0.000	1	113.5768	21.684	6	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	117.2970	0.000	1	113.5768	21.684	6	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.2300	3.671	4	113.5768	21.684	6	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.0743	6.487	3	119.4734	21.882	5	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	118.5720	0.803	2	119.4734	21.882	5	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.4410	0.000	1	119.4410	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	119.2840	0.000	1	119.2840	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	120.6860	0.000	1	118.3342	4.809	39	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.2628	2.217	37	118.3342	4.809	39	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	118.6240	0.000	1	118.3342	4.809	39	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.6560	0.000	1	117.6560	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	H(NC[6a]C)	118.8380	0.000	1	118.8380	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	118.4780	0.000	1	118.4780	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7287	0.773	12	118.6411	0.689	14	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	H(NC[6a]C)	119.0480	0.000	1	118.6411	0.689	14	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	117.1840	0.000	1	118.6411	0.689	14	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.8983	1.534	3	110.8983	2.354	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.8580	0.000	1	116.8580	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.3720	0.000	1	118.3720	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH){1|F<1>,1|H<1>,1|N<2>}	H(NC[6a]C)	117.9905	0.586	2	117.9905	0.344	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|F<1>,1|N<2>,1|N<3>}	H(NC[6a]C)	113.8760	0.000	1	113.8760	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7875	0.631	4	118.7875	0.398	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	116.4565	2.816	6	114.4214	14.149	25	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.7787	3.853	19	114.4214	14.149	25	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.5636	1.193	11	119.5667	1.293	12	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	119.6010	0.000	1	119.5667	1.293	12	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	119.0060	0.000	1	119.0060	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C)	119.5290	0.542	2	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.1960	0.882	2	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.9213	1.018	3	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2394	4.406	37	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	115.4970	0.000	1	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.0085	2.043	2	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	H(NC[6a]C)	118.3840	1.236	5	116.6828	15.031	52	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4100	0.037	2	118.4100	0.001	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	113.4400	0.809	2	113.4400	0.654	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	113.7910	0.000	1	113.7910	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	119.0670	0.137	2	119.0670	0.019	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.2123	3.703	7	114.2123	13.714	7	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CDyCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CDyCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.8882	0.936	4	119.8882	0.877	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CErNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CErNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8170	0.655	2	116.8170	0.429	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CGdCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CGdCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2375	0.276	4	116.2375	0.076	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	116.1160	0.000	1	116.1160	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(NC[6a]C)	118.5190	0.000	1	118.4970	0.001	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	118.4750	0.000	1	118.4970	0.001	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	113.8700	0.000	1	113.8700	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	112.8250	0.000	1	112.8250	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	H(NC[6a]C)	119.2080	0.000	1	119.2080	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.5603	4.593	3	115.5603	21.097	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.8060	0.000	1	119.8060	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.0486	1.684	21	117.8760	3.071	24	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	116.6673	2.107	3	117.8760	3.071	24	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	114.8415	1.394	2	116.3255	4.297	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|Fe<6>,1|C<3>,1|F<1>}	H(NC[6a]C)	117.8095	1.463	2	116.3255	4.297	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7910	0.000	1	118.7910	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]C)	119.1235	1.261	2	117.4867	3.705	11	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.1230	1.901	9	117.4867	3.705	11	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.9688	0.300	12	118.9688	0.090	12	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	114.2150	0.000	1	117.1568	7.176	16	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2405	2.714	14	117.1568	7.176	16	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	H(NC[6a]C)	118.9270	0.000	1	117.1568	7.176	16	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4935	3.197	2	116.4935	10.220	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.0690	0.000	1	113.0690	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	115.3120	0.000	1	117.6077	3.998	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.7555	0.301	2	117.6077	3.998	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.9020	0.000	1	116.9020	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	117.0160	0.000	1	117.0160	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNOY)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNOY)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5335	0.899	2	116.5335	0.808	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.8813	0.139	3	118.8813	0.019	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9040	0.928	2	117.9040	0.861	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.6130	0.000	1	114.6130	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.3370	0.918	2	119.3370	0.842	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	112.1940	0.000	1	115.0400	16.199	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.8860	0.000	1	115.0400	16.199	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	118.7290	0.000	1	118.3135	0.168	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1750	0.369	3	118.3135	0.168	4	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNiNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNiNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.9450	0.000	1	117.9450	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(COsNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(COsNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.4080	0.000	1	119.4080	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CPdNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPdNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.0830	0.000	1	116.0830	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2370	0.335	2	116.2370	0.112	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4840	0.926	2	117.4840	0.858	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.9010	0.808	2	115.9010	0.652	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	118.3840	0.000	1	117.6395	1.109	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8950	0.000	1	117.6395	1.109	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7595	1.616	2	117.7595	2.611	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.6067	0.085	3	117.6067	0.007	3	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3925	0.646	2	117.3925	0.417	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CRuNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CRuNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0445	1.672	2	119.0445	2.797	2	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CTiNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CTiNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.8790	0.000	1	114.8790	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CYbNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CYbNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5550	0.000	1	117.5550	0.000	1	116.8786	10.224	731	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	H(NC[6a]C)	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	117.1025	0.144	2	117.1025	0.021	2	117.1025	0.021	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[3x6]-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H)	H(NC[3x6]C[6a])	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[3x6]C[6a])	115.6550	0.000	1	115.6550	0.000	1	115.6550	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H)	H(NC[6a]C[4])	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H){1|C<3>,2|H<1>}	H(NC[6a]C[4])	116.5115	2.778	2	116.5115	7.719	2	116.5115	7.719	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.8770	2.738	2	115.8770	7.496	2	116.8290	3.712	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.8780	0.000	1	117.8780	0.000	1	116.8290	3.712	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	118.5240	0.000	1	116.6820	6.786	2	116.8290	3.712	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	H(NC[6a]C[5])	114.8400	0.000	1	116.6820	6.786	2	116.8290	3.712	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.9780	0.000	1	117.9780	0.000	1	116.8290	3.712	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]C[6])	116.1850	3.618	2	116.1850	13.087	2	116.1850	13.087	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H){1|N<2>,2|H<1>,4|C<3>}	H(NC[6a]C[6])	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H){1|H<1>,3|C<3>}	H(NC[6a]C[6])	113.9005	0.098	2	113.9005	0.010	2	113.9005	0.010	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.1980	0.000	1	118.1980	0.000	1	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	115.7120	0.000	1	115.7120	0.000	1	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.1010	0.000	1	117.1010	0.000	1	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.6330	0.000	1	116.6330	0.000	1	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.1230	0.000	1	116.1230	0.000	1	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.9710	0.375	2	116.9710	0.140	2	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.2615	0.798	15	118.2238	0.618	16	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	117.6580	0.000	1	118.2238	0.618	16	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C[6])	117.6735	0.200	2	117.6735	0.040	2	117.7855	0.954	25	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H){1|N<3>,2|O<1>}	H(NC[6a]C[6])	120.6510	0.000	1	120.6510	0.000	1	120.6510	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(GeC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH)	H(NC[6a]Ge)	N(C[6a]C[6a]2)(GeC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH){1|C<3>,2|H<1>}	H(NC[6a]Ge)	114.7795	0.073	2	114.7795	0.005	2	114.7795	0.005	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	H(NC[6a]N)	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCoHH)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCoHH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	H(NC[6a]P)	116.4290	0.000	1	116.4290	0.000	1	116.3530	0.012	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	H(NC[6a]P)	116.2770	0.000	1	116.2770	0.000	1	116.3530	0.012	2	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PCHW)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PCHW)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	119.5210	0.000	1	119.5210	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PCNS)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PCNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]P)	113.3100	0.000	1	113.3100	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	124.2415	11.194	2	124.2415	125.310	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.8460	0.000	1	115.8460	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.9635	2.565	2	113.9635	6.578	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	112.6232	1.825	4	112.6232	3.331	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	122.5585	0.016	2	120.1800	16.972	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	H(NC[6a]P)	115.4230	0.000	1	120.1800	16.972	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	119.1715	1.766	2	119.1715	3.118	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]F)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]F)2(NHP){1|C<3>,2|F<1>}	H(NC[6a]P)	114.7775	0.544	2	114.7775	0.296	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.4650	0.000	1	115.7674	0.688	5	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<2>,2|H<1>}	H(NC[6a]P)	116.2140	0.116	2	115.7674	0.688	5	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<3>,2|C<3>}	H(NC[6a]P)	115.4720	1.440	2	115.7674	0.688	5	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]P)	121.8250	0.057	2	119.9437	13.664	6	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	119.5390	4.841	2	119.9437	13.664	6	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	H(NC[6a]P)	118.4670	5.754	2	119.9437	13.664	6	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	121.3490	0.317	2	121.4097	0.061	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	H(NC[6a]P)	121.5310	0.000	1	121.4097	0.061	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.5437	1.616	6	113.5437	2.612	6	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.6430	0.000	1	117.6430	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|H<1>,2|C<3>}	H(NC[6a]P)	113.7730	0.000	1	113.7730	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	H(NC[6a]P)	116.2360	0.000	1	116.2360	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.2300	0.000	1	115.2300	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.3310	0.000	1	117.3310	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.4150	0.000	1	115.4150	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.2070	0.000	1	117.2070	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.8510	0.000	1	116.8510	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.6760	0.000	1	116.6760	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	H(NC[6a]P)	116.8730	2.329	2	116.8730	5.425	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.2745	0.593	2	114.8708	3.988	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<2>,2|H<1>}	H(NC[6a]P)	116.4670	1.192	2	114.8708	3.988	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.5920	0.000	1	116.5920	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PClNN)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PClNN)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]P)	117.6400	1.461	2	117.6400	2.134	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PCoCC)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PCoCC)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	117.6437	3.959	4	117.6437	15.671	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PFeCC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PFeCC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]P)	118.0865	4.755	2	118.0865	22.613	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PFeOO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PFeOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	114.9900	0.000	1	114.9900	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PHNW)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PHNW)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.2890	0.000	1	116.2890	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	H(NC[6a]P)	118.8913	2.085	3	118.8913	4.346	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	H(NC[6a]P)	116.6030	0.000	1	116.6030	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.0185	1.060	2	116.0185	1.124	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	H(NC[6a]P)	116.9010	0.000	1	116.9010	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.8760	1.176	4	117.8760	1.382	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	H(NC[6a]P)	116.1813	0.901	3	116.1813	0.811	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.2196	2.268	24	116.3024	4.669	27	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<2>,2|H<1>}	H(NC[6a]P)	116.9647	0.913	3	116.3024	4.669	27	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	H(NC[6a]P)	116.5447	0.935	3	116.5447	0.874	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	H(NC[6a]P)	116.4253	1.240	3	116.4253	1.538	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]P)	114.7672	1.020	5	114.7672	1.041	5	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	H(NC[6a]P)	121.3500	0.000	1	121.3500	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.8102	2.567	6	117.8102	6.588	6	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]P)	115.4290	1.236	2	115.8582	3.546	10	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.7149	2.098	7	115.8582	3.546	10	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|O<2>}	H(NC[6a]P)	117.7200	0.000	1	115.8582	3.546	10	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	114.4568	1.532	5	114.4568	2.347	5	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN[6]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN[6]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.6388	1.928	4	113.6388	3.716	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNiCC)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNiCC)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	122.5705	0.209	2	122.5705	0.044	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	121.1300	0.496	2	118.6607	18.416	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]P)	113.7220	0.000	1	118.6607	18.416	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.8555	1.140	4	117.8555	1.300	4	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	115.6500	0.000	1	115.6500	0.000	1	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]P)	117.6060	0.000	1	116.9785	5.934	8	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]P)	116.1590	0.000	1	116.9785	5.934	8	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.0105	2.845	6	116.9785	5.934	8	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(POOS)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(POOS)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	114.5055	2.146	2	114.5055	4.606	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(POOS)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(POOS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.7600	0.011	2	113.7600	0.000	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PPdOO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PPdOO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	122.7895	0.786	2	122.7895	0.617	2	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PSeNN)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PSeNN)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.2527	0.577	3	116.2527	0.333	3	116.6935	8.989	169	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	H(NC[6a]P[4])	115.6443	0.930	3	115.6443	0.865	3	113.9967	3.648	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|C<4>}	H(NC[6a]P[4])	112.2515	0.405	2	112.3490	0.111	3	113.9967	3.648	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	H(NC[6a]P[4])	112.5440	0.000	1	112.3490	0.111	3	113.9967	3.648	6	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[5]N[5]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[5]H)	H(NC[6a]P[5])	N(C[6a]C[6a]2)(P[5]N[5]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[5]H){1|C<3>,2|H<1>}	H(NC[6a]P[5])	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]P[6])	116.9982	1.396	4	116.9982	1.949	4	116.0956	6.764	20	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H){1|C<3>,2|H<1>}	H(NC[6a]P[6])	116.5897	2.384	3	116.5897	5.685	3	116.0956	6.764	20	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	H(NC[6a]P[6])	117.0970	2.817	4	117.0970	7.938	4	116.0956	6.764	20	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]P[6])	115.3790	0.000	1	114.6038	7.662	8	116.0956	6.764	20	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	H(NC[6a]P[6])	114.4930	2.971	7	114.6038	7.662	8	116.0956	6.764	20	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	H(NC[6a]P[6])	N(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	H(NC[6a]P[6])	118.9320	0.000	1	118.9320	0.000	1	116.0956	6.764	20	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Co<6>,1|H<1>,1|O<2>,2|C<3>}	H(NC[6a]S)	121.3120	0.000	1	119.3130	12.965	4	119.3130	12.965	4	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]S)	117.8240	5.432	2	119.3130	12.965	4	119.3130	12.965	4	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	H(NC[6a]S)	120.2920	0.000	1	119.3130	12.965	4	119.3130	12.965	4	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]S)	118.8450	2.075	2	118.8450	4.304	2	118.2402	7.392	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	H(NC[6a]S)	113.9720	0.000	1	117.8370	12.022	3	118.2402	7.392	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	H(NC[6a]S)	118.8650	0.000	1	117.8370	12.022	3	118.2402	7.392	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	120.6740	0.000	1	117.8370	12.022	3	118.2402	7.392	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]S)	114.3308	3.207	11	114.3308	10.284	11	115.3801	9.761	16	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(NC[6a]S)	117.8160	0.000	1	117.6884	1.206	5	115.3801	9.761	16	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]S)	117.6565	1.265	4	117.6884	1.206	5	115.3801	9.761	16	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	H(NC[6a]S)	118.5050	0.966	2	118.5050	0.933	2	117.1532	6.416	12	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]S)	115.2030	0.000	1	115.2030	0.000	1	117.1532	6.416	12	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,3|C<3>}	H(NC[6a]S)	116.2450	0.474	2	116.2450	0.224	2	117.1532	6.416	12	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	112.9740	0.000	1	112.9740	0.000	1	117.1532	6.416	12	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS){1|H<1>,3|C<3>}	H(NC[6a]S)	120.4105	0.370	2	120.4105	0.137	2	117.1532	6.416	12	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	H(NC[6a]S)	116.8350	2.651	4	116.8350	7.029	4	117.1532	6.416	12	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]S)	116.1340	0.699	2	116.1340	0.488	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|C<4>,3|C<3>}	H(NC[6a]S)	117.1162	0.764	4	117.1162	0.583	4	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	119.3565	0.783	2	118.3100	2.197	4	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]S)	118.1570	0.000	1	118.3100	2.197	4	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.3700	0.000	1	118.3100	2.197	4	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.4110	0.000	1	118.4110	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.8110	0.000	1	114.2567	15.636	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	111.9795	0.400	2	114.2567	15.636	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.2090	0.824	2	118.2090	0.680	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	118.0790	0.000	1	118.7970	1.031	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	119.5150	0.000	1	118.7970	1.031	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	112.6240	0.000	1	116.0921	6.499	11	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	H(NC[6a]S)	118.8240	0.000	1	116.0921	6.499	11	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.5072	2.417	6	116.0921	6.499	11	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	117.2555	2.802	2	116.0921	6.499	11	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){2|Cl<1>,1|C<3>}	H(NC[6a]S)	118.0110	0.000	1	116.0921	6.499	11	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]N)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.2780	0.000	1	118.2780	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.5960	0.000	1	117.5960	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	116.5113	4.790	3	115.6795	18.063	4	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	113.1840	0.000	1	115.6795	18.063	4	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]S)	118.4340	0.000	1	118.4340	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]S)	117.6270	0.000	1	116.0748	3.131	5	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	117.8430	0.000	1	116.0748	3.131	5	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	114.9680	1.287	3	116.0748	3.131	5	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]S)	114.0880	1.573	2	115.1237	4.454	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	117.1950	0.000	1	115.1237	4.454	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,2|C<4>,3|H<1>}	H(NC[6a]S)	120.4105	0.090	2	120.4105	0.008	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	119.5790	0.000	1	119.5790	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	H(NC[6a]S)	120.2960	0.000	1	120.2960	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	116.2260	0.000	1	116.2260	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	105.8110	0.000	1	105.8110	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]S)	117.6230	0.980	6	117.6230	0.961	6	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	118.5800	0.000	1	118.6130	0.002	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	118.6460	0.000	1	118.6130	0.002	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	118.4681	2.192	8	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	112.4992	1.774	5	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	118.2950	2.516	2	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.6818	2.969	48	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>}	H(NC[6a]S)	119.5505	0.398	2	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	118.3140	0.000	1	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	117.3790	0.000	1	116.0351	9.469	67	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.1657	0.862	3	118.1657	0.743	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(NC[6a]S)	120.2650	0.000	1	120.2650	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]S)	114.1200	0.000	1	114.1200	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.7707	3.880	4	117.4741	9.535	7	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	117.0787	2.368	3	117.4741	9.535	7	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.6140	0.173	2	118.6140	0.030	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	119.1740	0.000	1	116.5454	12.084	27	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	114.7785	1.272	2	116.5454	12.084	27	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.4230	3.601	23	116.5454	12.084	27	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	120.2670	0.000	1	116.5454	12.084	27	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	113.5110	0.000	1	117.2265	5.913	10	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.6393	2.176	9	117.2265	5.913	10	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	118.0780	0.000	1	118.0683	0.186	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.0635	0.610	2	118.0683	0.186	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.1904	1.183	5	118.1904	1.399	5	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]S)	118.0220	0.000	1	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	115.8431	2.922	11	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	115.0887	1.257	3	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<4>}	H(NC[6a]S)	116.0405	0.852	2	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	116.2635	0.476	2	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]S)	118.5854	1.823	5	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	H(NC[6a]S)	114.7177	0.210	3	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.4775	2.561	64	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	114.7292	3.763	8	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	118.1230	2.118	2	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){2|Cl<1>,1|C<3>}	H(NC[6a]S)	116.1480	0.924	3	116.3109	6.732	104	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]S)	113.7255	0.637	2	113.7255	0.406	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]S)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]S)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.1110	0.000	1	115.1110	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>}	H(NC[6a]S)	119.3050	0.000	1	119.3050	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SFOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SFOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	113.2695	5.375	2	113.2695	28.888	2	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.1560	0.000	1	116.1560	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	H(NC[6a]S)	118.5790	0.000	1	118.7243	6.331	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	118.7970	3.554	2	118.7243	6.331	3	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SN[5]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SN[5]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.3240	0.000	1	115.3240	0.000	1	116.5016	8.005	299	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]Si)	112.3180	0.000	1	112.3180	0.000	1	114.7722	2.224	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	H(NC[6a]Si)	115.3858	0.675	4	115.3858	0.456	4	114.7722	2.224	5	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	113.7025	0.118	2	113.7025	0.014	2	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|C<4>}	H(NC[6a]Si)	113.3030	0.000	1	113.9660	1.005	4	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	114.1870	1.102	3	113.9660	1.005	4	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	113.6150	0.174	2	113.6150	0.030	2	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	115.2290	0.699	4	115.2290	0.488	4	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	115.6400	0.000	1	115.6400	0.000	1	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[5]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[5]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	H(NC[6a]Si)	114.4260	0.000	1	114.4260	0.000	1	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	114.1425	0.118	2	114.1425	0.014	2	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	117.2430	0.448	2	117.2430	0.201	2	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	115.9990	0.000	1	115.9990	0.000	1	114.7501	1.584	19	116.7748	9.425	1432	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:5:1:	3:3:3:	3:	C[6a]-3:P-5:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN[6]2CeO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN[6]2CeO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	2:3:3:	3:	C[5]-4:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]C[5])	119.2275	0.325	2	119.2275	0.105	2	119.2275	0.105	2	119.2275	0.105	2	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:2:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[5]C[5,5]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,5]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a]C[5])	121.0915	1.354	2	121.0915	1.834	2	120.3663	2.494	3	120.3663	2.494	3	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:2:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[5])	118.9160	0.000	1	118.9160	0.000	1	120.3663	2.494	3	120.3663	2.494	3	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	B[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[4]H)	H(NC[6a]B[4])	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[4]H){1|C<3>,2|H<1>}	H(NC[6a]B[4])	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	B[5a]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H)	H(NB[5a]C[6a])	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	H(NB[5a]C[6a])	114.7350	0.000	1	114.7350	0.000	1	115.8940	2.687	2	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	B[5a]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H)	H(NB[5a]C[6a])	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	H(NB[5a]C[6a])	117.0530	0.000	1	117.0530	0.000	1	115.8940	2.687	2	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1190	0.000	1	118.1190	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.0250	0.000	1	119.0250	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.9080	0.000	1	119.9080	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	97.7063	0.000	1	97.7063	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7780	0.000	1	115.7780	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.1622	0.809	6	118.1622	0.654	6	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.7310	0.000	1	117.7310	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.9310	0.000	1	113.9310	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.7365	2.930	2	116.7365	8.582	2	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.3520	0.000	1	112.3520	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.4590	6.879	2	111.4590	47.317	2	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.5040	0.000	1	118.5040	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.2010	0.853	2	117.2010	0.727	2	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.8280	7.753	2	116.8280	60.105	2	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.8707	0.273	3	118.4020	0.928	4	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	116.9960	0.000	1	118.4020	0.928	4	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.0880	0.000	1	115.0880	0.000	1	116.2562	22.591	28	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H)	H(NC[3x6]C[6a])	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H){1|C<3>,2|H<1>}	H(NC[3x6]C[6a])	118.9775	2.862	2	118.9775	8.189	2	118.9775	8.189	2	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H)	H(NC[5,5]C[6a])	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H){1|C<3>,2|H<1>}	H(NC[5,5]C[6a])	117.2240	0.000	1	117.2240	0.000	1	117.8155	0.805	4	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H)	H(NC[5,5]C[6a])	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H){1|C<3>,2|H<1>}	H(NC[5,5]C[6a])	118.5790	0.154	2	118.5790	0.024	2	117.8155	0.805	4	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,5]H)	H(NC[5,5]C[6a])	N(C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,5]H){1|C<3>,2|H<1>}	H(NC[5,5]C[6a])	116.8800	0.000	1	116.8800	0.000	1	117.8155	0.805	4	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	H(NC[5,6]C[6a])	N(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	H(NC[5,6]C[6a])	113.5570	0.000	1	113.5570	0.000	1	114.4717	0.850	3	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	H(NC[5,6]C[6a])	N(C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	H(NC[5,6]C[6a])	115.4010	0.000	1	115.4010	0.000	1	114.4717	0.850	3	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	H(NC[5,6]C[6a])	N(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	H(NC[5,6]C[6a])	114.4570	0.000	1	114.4570	0.000	1	114.4717	0.850	3	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[5])	114.5830	0.000	1	114.5830	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.9810	0.000	1	116.9810	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.5975	0.373	2	117.5975	0.139	2	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.8250	0.000	1	117.8250	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.0820	0.151	2	117.0820	0.023	2	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.1578	2.321	6	117.1578	5.388	6	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.9820	0.000	1	117.9820	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[5]H){1|H<1>,2|C<3>}	H(NC[6a]C[5])	116.3650	0.000	1	116.3650	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	108.9160	0.000	1	108.9160	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	121.0880	13.022	3	121.0880	169.566	3	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.2230	0.000	1	116.2230	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	113.4007	9.890	3	113.4007	97.820	3	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	118.9050	0.000	1	118.9050	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	118.3413	0.534	3	118.3413	0.286	3	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.6400	0.000	1	117.6400	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[5])	118.4900	0.000	1	117.1215	4.935	4	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[5])	118.2570	0.000	1	117.1215	4.935	4	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.9320	0.000	1	117.1215	4.935	4	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C[5])	113.8070	0.000	1	117.1215	4.935	4	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[5])	117.7147	3.610	3	117.4957	7.312	12	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C[5])	115.5130	0.000	1	117.4957	7.312	12	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.5744	2.877	7	117.4957	7.312	12	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	H(NC[6a]C[5])	118.2700	0.000	1	117.4957	7.312	12	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.1427	1.609	3	115.1427	2.590	3	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	114.7765	1.402	2	114.7765	1.966	2	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	123.1960	0.000	1	123.1960	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(NC[6a]C[5])	117.7490	0.000	1	117.7490	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,1|H<1>,1|I<1>}	H(NC[6a]C[5])	117.4670	0.000	1	117.4670	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	119.6840	0.000	1	119.6840	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.3400	0.000	1	117.3400	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	116.3010	0.000	1	116.3010	0.000	1	117.1158	16.805	55	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.9180	0.000	1	117.9180	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.8200	0.000	1	118.8200	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.9620	0.000	1	116.9620	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	112.4240	0.000	1	112.4240	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.6510	0.000	1	118.6510	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.3550	0.000	1	118.3550	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.9570	2.974	2	118.9570	8.845	2	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	114.8020	0.000	1	114.8020	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.8390	3.666	4	115.8390	13.436	4	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C[6])	117.8280	0.120	2	117.8280	0.014	2	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.1990	2.151	2	116.1990	4.627	2	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.2730	0.000	1	117.2730	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.1230	0.000	1	116.1230	0.000	1	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C[6])	117.3680	0.000	1	117.0650	6.681	6	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.0044	2.885	5	117.0650	6.681	6	116.9217	5.755	25	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	In[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(In[4]N[4]2N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NIn[4]H)	H(NC[6a]In[4])	N(In[4]N[4]2N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NIn[4]H){1|C<3>,2|H<1>}	H(NC[6a]In[4])	110.7425	3.166	2	110.7425	10.022	2	110.7425	10.022	2	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	P-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	118.6180	0.000	1	118.6180	0.000	1	118.6180	0.000	1	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	P[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	H(NC[6a]P[4])	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	H(NC[6a]P[4])	115.1462	1.598	6	115.1462	2.552	6	115.1462	2.552	6	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	Si[4,5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NSi[4,5]H)	H(NSi[4,5]C[6a])	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NSi[4,5]H){1|C<3>,2|H<1>}	H(NSi[4,5]C[6a])	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	116.6473	14.281	130	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	5:3:1:	3:3:3:	3:	P[5,5]-5:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H)	H(NP[5,5]C[6a])	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H){1|C<3>,2|H<1>}	H(NP[5,5]C[6a])	116.8535	3.171	2	116.8535	10.058	2	115.6603	9.300	3	115.6603	9.300	3	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	5:3:1:	3:3:3:	3:	P[5,5]-5:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H)	H(NP[5,5]C[6a])	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H){1|C<3>,2|H<1>}	H(NP[5,5]C[6a])	113.2740	0.000	1	113.2740	0.000	1	115.6603	9.300	3	115.6603	9.300	3	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	6:3:1:	3:3:3:	3:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:	N-3:C[6a]-3:C[6a]-3:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(H)	C[6a](NB[5x3,5x5,20x6]H)(C[6a]C[6a]H)2	H(NB[5x3,5x5,20x6]C[6a])	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(H)	C[6a](NB[5x3,5x5,20x6]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	H(NB[5x3,5x5,20x6]C[6a])	109.2488	4.336	4	109.2488	18.802	4	109.2488	18.802	4	109.2488	18.802	4	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	8:3:1:	3:3:3:	3:	Nb[5x3]-8:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(Nb[5x3]C[3,3,5]5CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NNb[5x3]H)	H(NNb[5x3]C[6a])	N(Nb[5x3]C[3,3,5]5CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NNb[5x3]H){1|C<3>,2|H<1>}	H(NNb[5x3]C[6a])	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	117.2608	8.918	18872	117.2608	8.918	18872
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a]H)	113.0385	2.886	2	113.0385	8.327	2	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	116.1580	0.574	2	113.8646	13.567	18	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]H)	109.4475	1.076	2	113.8646	13.567	18	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	114.9415	3.401	12	113.8646	13.567	18	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6a]H)	109.5265	0.909	2	113.8646	13.567	18	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	120.0730	0.170	2	120.0730	0.029	2	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	H(NC[6a]H)	116.1620	3.722	2	116.1620	13.855	2	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	115.2845	0.384	2	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6a]H)	117.7425	1.733	4	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a]H)	117.9958	1.709	8	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	115.7825	1.439	4	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	H(NC[6a]H)	117.1585	2.372	6	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	117.4800	0.178	2	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6a]H)	116.7063	1.395	6	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	H(NC[6a]H)	116.8414	3.227	25	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	H(NC[6a]H)	116.9205	1.080	2	116.9773	6.007	59	116.2623	9.570	83	116.2623	9.570	83	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|C<4>,4|C<3>}	H(NC[6a]H)	117.9005	0.612	2	117.9005	0.374	2	115.1017	15.741	8	115.6784	23.937	14	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	117.2050	4.107	2	114.1688	17.784	6	115.1017	15.741	8	115.6784	23.937	14	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	112.6508	3.847	4	114.1688	17.784	6	115.1017	15.741	8	115.6784	23.937	14	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	120.0145	3.724	4	120.0145	13.872	4	116.4472	38.959	6	115.6784	23.937	14	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a]H)	109.3125	0.685	2	109.3125	0.469	2	116.4472	38.959	6	115.6784	23.937	14	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	116.9465	3.176	4	116.9465	10.085	4	116.9465	10.085	4	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	H(NC[6a]H)	116.2585	2.115	2	116.2585	4.473	2	116.2585	4.473	2	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	H(NC[6a]H)	116.3135	1.727	2	116.3135	2.984	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	113.0975	3.404	4	113.0975	11.585	4	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	114.2190	0.725	2	114.2190	0.526	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	119.5715	1.261	2	119.5715	1.590	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	114.3870	1.196	2	114.3870	1.431	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]H)	117.5590	1.575	2	116.8010	6.511	4	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	H(NC[6a]H)	116.0430	3.841	2	116.8010	6.511	4	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	109.4910	0.257	2	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	118.0920	2.449	4	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	117.9790	0.168	2	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.3367	3.177	4	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NC[6a]H)	116.3050	2.169	2	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6a]H)	115.8820	1.940	2	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	H(NC[6a]H)	116.7929	2.214	8	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	H(NC[6a]H)	113.4995	2.483	2	116.2450	9.229	26	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	115.5267	1.765	4	115.5267	3.115	4	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.0727	1.835	4	115.7627	7.360	6	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6a]H)	113.1425	2.470	2	115.7627	7.360	6	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	H(NC[6a]H)	117.3820	0.972	2	117.3820	0.944	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	H(NC[6a]H)	114.2810	2.649	2	114.2810	7.016	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	109.4990	1.103	2	109.4990	1.217	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	119.8060	0.506	2	119.8060	0.256	2	115.8261	9.235	60	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(NC[6a]H)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	H(NC[6a]H)	115.3695	4.576	2	115.3695	20.937	2	115.3695	20.937	2	115.8913	9.045	68	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(NC[6a]H)	110.6660	0.393	2	114.9128	11.385	6	114.4048	9.419	8	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	H(NC[6a]H)	117.0363	0.943	4	114.9128	11.385	6	114.4048	9.419	8	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]H)	112.8805	1.677	2	112.8805	2.811	2	114.4048	9.419	8	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	H(NC[6a]H)	109.5830	0.902	2	109.5830	0.814	2	116.0960	19.433	8	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	H(NC[6a]H)	118.2670	2.102	6	118.2670	4.420	6	116.0960	19.433	8	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	H(NC[6a]H)	116.3235	0.177	2	118.9292	9.385	4	116.9321	10.114	10	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]H)	121.5350	0.981	2	118.9292	9.385	4	116.9321	10.114	10	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	113.8650	0.588	2	113.8650	0.346	2	116.9321	10.114	10	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	116.4685	2.994	4	116.4685	8.966	4	116.9321	10.114	10	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(NC[6a]H)	115.9720	5.978	2	115.9720	35.735	2	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]H)	117.2525	5.993	2	115.4340	30.354	6	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	109.9025	1.159	2	115.4340	30.354	6	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]H)	119.1470	4.374	2	115.4340	30.354	6	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH){1|O<1>,2|C<3>,2|N<3>}	H(NC[6a]H)	119.2300	1.681	2	119.2300	2.827	2	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|Br<1>,1|H<1>,3|C<3>}	H(NC[6a]H)	109.5705	4.816	2	112.1125	14.160	38	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]H)	111.9466	2.722	12	112.1125	14.160	38	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	115.4465	5.281	2	112.1125	14.160	38	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	112.1310	4.116	22	112.1125	14.160	38	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	111.7020	3.968	2	111.7020	15.747	2	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]H)	114.6115	3.422	4	114.6115	11.707	4	113.0580	17.725	54	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	114.9240	1.892	2	114.9240	3.580	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	116.5635	1.949	4	116.5635	3.799	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	119.0052	1.298	8	119.0052	1.684	8	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	106.5103	11.928	4	112.7932	67.975	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	112.5055	0.722	2	112.7932	67.975	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	115.8005	3.198	4	112.7932	67.975	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	119.6320	1.370	2	112.7932	67.975	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]H)	110.2152	1.956	4	110.2152	3.827	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	114.5645	3.137	2	112.9377	4.418	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	112.1243	1.198	4	112.9377	4.418	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6a]H)	118.6610	1.013	2	119.1387	8.850	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]H)	116.5370	0.491	2	119.1387	8.850	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	122.2180	3.166	2	119.1387	8.850	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	H(NC[6a]H)	118.5310	0.987	2	118.5310	0.974	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	111.2445	1.299	2	114.7044	7.692	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	115.3964	2.454	10	114.7044	7.692	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	H(NC[6a]H)	115.0113	2.634	6	115.0113	6.939	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	110.7913	2.022	6	112.8778	9.855	16	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	116.3005	0.515	4	112.8778	9.855	16	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	112.6825	3.268	6	112.8778	9.855	16	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	113.5505	5.129	2	115.2403	12.799	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	116.9300	0.820	2	115.2403	12.799	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	112.4815	0.936	2	112.4815	0.875	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]H)	114.1295	3.214	2	115.0284	12.200	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|H<1>,3|C<3>}	H(NC[6a]H)	110.1855	1.514	2	115.0284	12.200	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]H)	117.6925	2.611	2	115.0284	12.200	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	116.0543	3.024	6	115.0284	12.200	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){2|H<1>,5|C<3>}	H(NC[6a]H)	115.0210	8.671	2	115.0210	75.178	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){1|Br<1>,1|H<1>,3|C<3>}	H(NC[6a]H)	114.1030	2.295	2	113.6072	2.513	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	113.1115	1.135	2	113.6072	2.513	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.1010	1.524	4	117.1010	2.323	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	116.6770	0.161	2	116.6770	0.026	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	113.9245	1.266	2	113.9245	1.604	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){3|C<3>}	H(NC[6a]H)	114.9230	5.238	8	114.9230	27.440	8	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	111.4745	1.332	4	114.7745	10.496	104	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	116.8211	1.413	14	114.7745	10.496	104	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	112.7120	2.485	4	114.7745	10.496	104	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	118.4895	2.268	2	114.7745	10.496	104	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	114.7150	3.179	76	114.7745	10.496	104	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	112.2460	5.639	4	114.7745	10.496	104	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.9967	3.722	4	118.0567	8.402	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	H(NC[6a]H)	118.1765	0.641	2	118.0567	8.402	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|C<4>}	H(NC[6a]H)	115.2165	1.867	2	113.8581	16.435	72	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	113.5429	4.104	60	113.8581	16.435	72	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|H<1>,1|N<2>}	H(NC[6a]H)	118.0930	0.762	2	113.8581	16.435	72	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	H(NC[6a]H)	109.3320	0.116	2	113.8581	16.435	72	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	115.2788	2.042	4	113.8581	16.435	72	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	119.4065	0.709	2	113.8581	16.435	72	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<3>}	H(NC[6a]H)	113.9910	10.551	2	115.2707	28.574	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]H)	115.5510	1.342	2	115.2707	28.574	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6a]H)	116.2700	4.930	2	115.2707	28.574	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6a]H)	116.8540	3.050	2	116.0160	8.531	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	H(NC[6a]H)	115.1780	3.671	2	116.0160	8.531	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	115.2645	2.641	2	115.2645	6.975	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	113.4715	0.663	2	114.4421	13.950	21	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	116.3098	3.316	6	114.4421	13.950	21	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	114.4455	6.138	4	114.4421	13.950	21	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	113.2340	5.491	2	114.4421	13.950	21	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	113.4619	2.827	7	114.4421	13.950	21	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	116.3735	5.445	2	116.3735	29.653	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	114.6880	3.923	2	114.1220	6.120	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	113.5560	1.300	2	114.1220	6.120	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	H(NC[6a]H)	112.2663	5.419	16	112.1679	27.136	18	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	111.3805	4.406	2	112.1679	27.136	18	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	111.1910	6.899	2	111.1910	47.590	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	111.4880	1.867	4	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]H)	111.9415	1.091	2	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	116.1277	2.776	12	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	117.9455	1.159	2	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	111.5815	2.240	6	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	110.0295	0.576	2	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	114.4144	3.448	128	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	118.3590	2.456	2	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	114.3780	5.433	4	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	H(NC[6a]H)	115.1170	0.233	2	114.3799	11.979	164	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	113.0062	3.409	8	113.1852	7.318	22	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	111.9702	1.388	6	113.1852	7.318	22	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	114.8915	2.638	6	113.1852	7.318	22	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	112.4270	0.417	2	113.1852	7.318	22	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	115.4392	3.259	24	115.4392	10.623	24	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	112.4984	4.793	12	112.4984	22.975	12	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|Cl<1>,1|C<3>}	H(NC[6a]H)	111.6925	0.746	2	111.6925	0.557	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|N<3>}	H(NC[6a]H)	114.8740	1.713	12	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<2>,1|C<3>,1|H<1>}	H(NC[6a]H)	112.5820	4.960	2	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]H)	110.3051	4.463	20	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]H)	110.5625	4.303	6	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]H)	115.2285	8.390	2	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]H)	114.1603	3.239	43	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<4>}	H(NC[6a]H)	111.3688	3.594	8	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]H)	116.3122	3.636	52	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6a]H)	115.7220	1.680	2	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]H)	111.3830	1.807	8	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	H(NC[6a]H)	112.9868	2.338	16	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	114.2799	3.990	566	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]H)	112.6292	1.982	4	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	H(NC[6a]H)	115.4494	2.921	28	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|N<4>,2|C<3>}	H(NC[6a]H)	116.5190	3.025	4	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){2|Cl<1>,1|C<3>}	H(NC[6a]H)	112.5465	1.926	4	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){3|C<3>}	H(NC[6a]H)	112.5730	1.040	4	114.2305	15.480	781	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH){3|C<3>}	H(NC[6a]H)	117.7782	3.453	6	117.7782	11.920	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	112.1165	1.436	2	112.1165	2.062	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|C<4>,2|H<1>}	H(NC[6a]H)	117.8015	0.013	2	114.5150	7.541	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	112.8718	1.329	4	114.5150	7.541	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]H)	116.6415	1.109	2	116.3011	12.026	14	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	H(NC[6a]H)	116.2443	3.752	12	116.3011	12.026	14	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(NC[6a]H)	111.0807	2.402	4	111.0807	5.768	4	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)2(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)2(NHH){1|C<3>,2|O<1>}	H(NC[6a]H)	110.5510	1.715	2	110.5510	2.943	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NHH){4|C<3>}	H(NC[6a]H)	110.5140	7.398	2	110.5140	54.727	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	112.8765	5.187	2	112.8765	26.901	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	H(NC[6a]H)	117.9850	2.571	2	117.9850	6.610	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	120.1642	2.476	6	120.1642	6.131	6	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	H(NC[6a]H)	117.3160	0.004	2	117.3160	0.000	2	114.3509	15.160	1412	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	H(NC[6a]H)	118.2260	5.722	2	118.2260	32.740	2	116.3678	18.873	4	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6a]H)	114.5095	3.173	2	114.5095	10.067	2	116.3678	18.873	4	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	H(NC[6a]H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|O<1>,1|S<2>,3|C<3>}	H(NC[6a]H)	118.6035	3.501	2	118.6035	12.256	2	118.6035	12.256	2	114.3422	15.314	1498	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	116.0490	0.000	1	116.0490	0.000	1	116.0490	0.000	1	116.0490	0.000	1	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:As-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(AsC)(H)	C[6a](C[6a]C[6a]2)2(NAsH)	H(NC[6a]As)	N(C[6a]C[6a]2)(AsC)(H)	C[6a](C[6a]C[6a]2)2(NAsH){2|H<1>,5|C<3>}	H(NC[6a]As)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	115.6050	0.000	1	115.6050	0.000	1	116.9973	14.993	12	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	114.4630	0.000	1	114.4630	0.000	1	116.9973	14.993	12	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]N)	117.6170	0.000	1	117.3751	21.976	8	116.9973	14.993	12	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	117.3406	5.062	7	117.3751	21.976	8	116.9973	14.993	12	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	118.2180	0.000	1	118.2180	0.000	1	116.9973	14.993	12	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(NHN){2|H<1>,5|C<3>}	H(NC[6a]N)	116.6810	0.000	1	116.6810	0.000	1	116.9973	14.993	12	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(NHO)	H(NC[6a]O)	N(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(NHO){1|C<3>,2|H<1>}	H(NC[6a]O)	102.3400	0.000	1	102.3400	0.000	1	110.7150	32.790	4	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	H(NC[6a]O)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	H(NC[6a]O)	113.3070	2.147	2	113.3070	4.609	2	110.7150	32.790	4	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	H(NC[6a]O)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,2|N<3>}	H(NC[6a]O)	113.9060	0.000	1	113.9060	0.000	1	110.7150	32.790	4	115.0952	25.725	17	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	113.9600	0.000	1	114.2705	0.193	2	114.2705	0.193	2	118.4732	16.688	5	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	H(NC[6a]2)	114.5810	0.000	1	114.2705	0.193	2	114.2705	0.193	2	118.4732	16.688	5	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(NCH)(H)	C[6a](N[6a]N[6a])2(NHN)	H(NC[6a]N)	N(C[6a]N[6a]2)(NCH)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	H(NC[6a]N)	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	118.4732	16.688	5	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:N[5a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	H(NC[6a]N[5a])	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	H(NC[6a]N[5a])	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	118.4732	16.688	5	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:2:3:	3:	N[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	H(NC[6a]N[5a])	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	H(NC[6a]N[5a])	121.1950	0.000	1	121.1950	0.000	1	121.1950	0.000	1	118.4732	16.688	5	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]2)	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.0030	0.000	1	115.0030	0.000	1	115.0030	0.000	1	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.1970	4.963	3	112.1246	12.571	5	112.9267	6.548	12	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	H(NC[6a]2)	112.0160	0.989	2	112.1246	12.571	5	112.9267	6.548	12	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.4103	0.593	4	114.4103	0.352	4	112.9267	6.548	12	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	111.1730	0.120	2	111.1730	0.014	2	112.9267	6.548	12	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	H(NC[6a]2)	114.5100	0.000	1	114.5100	0.000	1	112.9267	6.548	12	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	H(NC[6a]N)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	116.4435	1.580	2	116.4435	2.498	2	116.4435	2.498	2	113.8712	8.355	16	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	113.5470	0.000	1	113.5470	0.000	1	112.4887	3.701	34	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	114.6570	0.000	1	114.6570	0.000	1	112.4887	3.701	34	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	114.4300	3.065	2	114.4300	9.392	2	112.4887	3.701	34	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	H(NC[5a]C[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6a])	112.2518	1.836	30	112.2518	3.369	30	112.4887	3.701	34	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	H(NC[6a]B)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	H(NC[6a]B)	98.8248	0.000	1	98.8248	0.000	1	98.8248	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(NC[6a]C)	109.7450	0.000	1	109.7450	0.000	1	115.0160	55.567	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	120.2870	0.000	1	120.2870	0.000	1	115.0160	55.567	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	113.9040	0.000	1	113.9040	0.000	1	104.8619	163.519	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	H(NC[6a]C)	95.8198	0.000	1	95.8198	0.000	1	104.8619	163.519	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.0180	0.000	1	115.0180	0.000	1	113.5700	4.193	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	112.1220	0.000	1	112.1220	0.000	1	113.5700	4.193	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5420	0.000	1	116.5420	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.9980	0.000	1	112.9980	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.5060	0.000	1	114.5060	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.1020	0.000	1	112.1020	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	H(NC[6a]C)	116.8350	0.000	1	116.8350	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.5460	0.000	1	116.5460	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.4030	0.000	1	118.4030	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.7860	1.310	2	112.7860	1.715	2	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.2590	0.000	1	112.2590	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	H(NC[6a]C)	108.4070	1.385	2	108.4070	1.917	2	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	114.0085	2.507	2	114.0085	6.284	2	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.3435	0.931	2	117.3435	0.867	2	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	119.1140	0.000	1	119.1140	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C)	112.6660	0.000	1	112.6660	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	121.9210	0.000	1	121.9210	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.4052	2.966	5	112.4052	8.799	5	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	114.8360	0.000	1	114.8360	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.3385	0.794	13	114.3385	0.630	13	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.0860	0.000	1	110.0860	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.2667	2.983	3	116.2667	8.898	3	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	111.0190	0.000	1	111.0190	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	116.3420	0.000	1	116.3420	0.000	1	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.5940	1.328	3	114.5940	1.763	3	114.3037	7.791	47	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	H(NC[6a]C)	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.2020	0.000	1	115.2020	0.000	1	115.1843	4.127	3	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	H(NC[6a]C[5])	113.1440	0.000	1	113.1440	0.000	1	115.1843	4.127	3	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	117.2070	0.000	1	117.2070	0.000	1	115.1843	4.127	3	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H){1|C<3>,1|F<1>,1|N<2>}	H(NC[6a]C[6])	110.4820	0.000	1	110.4820	0.000	1	113.8053	14.817	3	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	118.0230	0.000	1	118.0230	0.000	1	113.8053	14.817	3	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	112.9110	0.000	1	112.9110	0.000	1	113.8053	14.817	3	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(NC[6a]2)	117.8170	0.000	1	117.8170	0.000	1	117.8170	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	H(NC[6a]2)	111.5310	1.929	2	111.5310	3.721	2	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	H(NC[6a]2)	111.7780	0.000	1	111.7780	0.000	1	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]2)	115.9680	0.000	1	114.2825	5.682	2	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]2)	112.5970	0.000	1	114.2825	5.682	2	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]2)	123.6230	0.000	1	123.6230	0.000	1	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H){1|H<1>,3|C<3>}	H(NC[6a]2)	116.5880	0.000	1	116.5880	0.000	1	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	H(NC[6a]2)	110.9040	0.178	2	110.9040	0.032	2	113.9360	18.145	9	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.0330	0.000	1	112.0330	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	113.6908	1.223	4	113.6908	1.496	4	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.8920	0.000	1	118.8920	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	114.2960	0.000	1	112.9153	16.413	4	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.4550	4.832	3	112.9153	16.413	4	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(NC[6a]2)	117.3380	0.000	1	117.3380	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.6015	0.607	2	115.6015	0.369	2	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]2)	116.4760	0.000	1	116.4760	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	113.1130	0.000	1	113.1130	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	118.0420	1.119	2	112.5088	6.956	37	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.1888	2.099	33	112.5088	6.956	37	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]2)	116.9200	0.000	1	112.5088	6.956	37	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	107.5930	0.000	1	112.5088	6.956	37	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]2)	112.3940	0.000	1	112.3940	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.2318	1.862	4	114.2318	3.466	4	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	120.2260	0.000	1	115.9993	6.312	23	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.8072	2.392	22	115.9993	6.312	23	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.4349	2.066	7	112.4349	4.267	7	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]2)	110.9369	4.192	8	110.9369	17.574	8	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	109.3915	2.931	2	109.3915	8.591	2	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	H(NC[6a]2)	110.2660	0.000	1	110.2660	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]2)	121.5050	0.000	1	114.1661	32.184	20	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]2)	112.9080	0.000	2	114.1661	32.184	20	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	113.8824	5.880	17	114.1661	32.184	20	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){1|Rh<8>,1|H<1>,3|C<3>}	H(NC[6a]2)	110.5380	0.000	1	110.5380	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	112.9340	0.448	2	112.9340	0.201	2	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	118.6077	3.038	3	118.6077	9.229	3	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	117.3740	0.000	1	117.3740	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	114.3505	2.650	2	114.3505	7.020	2	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	115.5830	0.000	1	115.5830	0.000	1	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	H(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]2)	113.8370	1.486	3	113.8370	2.207	3	113.7246	13.208	131	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	112.9620	0.000	1	112.9620	0.000	1	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	116.0425	3.533	2	116.0425	12.485	2	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]N)	110.3930	0.000	1	113.0152	7.436	9	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]N)	113.1790	0.000	1	113.0152	7.436	9	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	113.3664	2.936	7	113.0152	7.436	9	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	114.8370	0.000	1	114.8370	0.000	1	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.3320	0.000	1	120.3320	0.000	1	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	116.2905	3.435	4	116.2905	11.797	4	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	115.7933	1.239	3	115.7933	1.534	3	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	113.7013	1.520	3	113.7013	2.309	3	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]F)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	H(NC[6a]N)	113.7680	2.283	2	113.7680	5.210	2	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	114.7390	0.000	1	114.7390	0.000	1	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.0620	0.000	1	120.0620	0.000	1	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	120.7360	0.000	1	120.7360	0.000	1	114.9680	9.490	29	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	H(NC[6a]N[5])	115.9155	3.160	2	115.9155	9.986	2	115.9155	9.986	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6a]H)	H(NC[6a]N[6a])	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6a]H){1|C<3>,2|H<1>}	H(NC[6a]N[6a])	115.0440	0.000	1	115.0440	0.000	1	115.0440	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.7250	0.000	1	116.7250	0.000	1	115.9565	1.181	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PCl2)(H)	C[6a](C[6a]C[6a]2)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PCl2)(H)	C[6a](C[6a]C[6a]2)2(NHP){2|H<1>,5|C<3>}	H(NC[6a]P)	115.1880	0.000	1	115.1880	0.000	1	115.9565	1.181	2	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]S)	117.2060	0.000	2	116.8658	0.824	4	116.8658	0.824	4	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.5255	1.418	2	116.8658	0.824	4	116.8658	0.824	4	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	H(NC[6a]N[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]N[5a])	120.0703	2.102	3	120.0703	4.420	3	117.1968	10.032	15	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H)	H(NC[6a]N[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	H(NC[6a]N[5a])	116.4784	3.025	12	116.4784	9.149	12	117.1968	10.032	15	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	H(NC[6a]N[6])	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	H(NC[6a]N[6])	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	114.0338	13.118	292	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	114.3040	0.000	1	114.3040	0.000	1	114.3040	0.000	1	116.3422	14.611	36	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	116.7012	4.119	28	116.4004	14.915	35	116.4004	14.915	35	116.3422	14.611	36	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	H(NC[6a]S)	117.4757	0.559	3	116.4004	14.915	35	116.4004	14.915	35	116.3422	14.611	36	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:2:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS)	H(NC[6a]S)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	113.4882	1.688	4	116.4004	14.915	35	116.4004	14.915	35	116.3422	14.611	36	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	115.0500	0.000	1	115.0500	0.000	1	116.3725	3.498	2	115.0932	3.504	4	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	H(NC[6a]C)	117.6950	0.000	1	117.6950	0.000	1	116.3725	3.498	2	115.0932	3.504	4	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:C[6]-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	H(NC[6a]C[6])	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	115.0932	3.504	4	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	2:3:3:	3:	C[6a]-3:S-4:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS){2|C<3>}	H(NC[6a]S)	113.3300	0.000	1	113.3300	0.000	1	113.3300	0.000	1	115.0932	3.504	4	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	113.4260	0.000	1	113.4260	0.000	1	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.2510	0.000	1	109.2510	0.000	1	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.9590	0.000	1	115.3276	10.380	9	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.6550	0.000	1	115.3276	10.380	9	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	112.4000	0.000	1	115.3276	10.380	9	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.2728	4.104	5	115.3276	10.380	9	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.5700	0.000	1	115.3276	10.380	9	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.3760	0.000	1	110.3760	0.000	1	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.7325	2.282	2	115.7325	5.207	2	114.4619	11.011	14	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:O[6a]-2:N-3:	N-3:	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH){1|O<1>,2|C<3>}	H(NC[6a]C)	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	H(NC[6a]C)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(NC[6a]C)	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]P)	107.1170	0.000	1	107.1170	0.000	1	107.9863	0.568	3	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	H(NC[6a]P)	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	108.4210	0.042	2	108.4210	0.002	2	107.9863	0.568	3	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	113.2438	1.635	5	113.2438	2.672	5	113.7590	3.628	12	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS){1|C<3>,1|H<1>}	H(NC[6a]S)	115.4785	2.440	2	115.4785	5.955	2	113.7590	3.628	12	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	H(NC[6a]S)	112.8317	1.222	4	112.8317	1.493	4	113.7590	3.628	12	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:2:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	H(NC[6a]S)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	H(NC[6a]S)	116.6050	0.000	1	116.6050	0.000	1	113.7590	3.628	12	113.4557	10.332	31	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH){1|C<2>,1|S<4>,3|C<3>}	H(NC[6a]C)	115.3630	0.137	2	115.3630	0.019	2	115.3630	0.019	2	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5,6a]-3:N[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	H(NC[6a]C)	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]C)	114.7195	2.283	2	114.7195	5.213	2	114.7195	5.213	2	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	H(NC[6a]C)	112.5680	0.000	1	112.5680	0.000	1	116.3725	13.676	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	H(NC[6a]C)	114.0700	0.000	1	114.0700	0.000	1	116.3725	13.676	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	119.4260	1.614	2	119.4260	2.604	2	116.3725	13.676	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(NC[6a]C)	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){1|N<2>,2|H<1>,4|C<3>}	H(NC[6a]C)	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.9810	0.000	2	117.9810	0.000	2	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	H(NC[6a]C)	113.1220	0.843	5	113.1220	0.711	5	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	117.4882	1.254	5	117.4882	1.573	5	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	122.5070	0.000	1	122.5070	0.000	1	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6a]C)	109.8260	0.000	1	109.8730	0.206	3	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	109.8965	0.639	2	109.8730	0.206	3	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C)	105.4200	0.000	1	115.2173	71.991	3	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	H(NC[6a]C)	120.1160	0.000	2	115.2173	71.991	3	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.3820	0.000	1	114.3820	0.000	1	115.0587	18.714	20	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CBCH)(H)	C[6a](C[6a]C[6a]2)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CBCH)(H)	C[6a](C[6a]C[6a]2)2(NCH){2|H<1>,5|C<3>}	H(NC[6a]C)	112.7470	0.000	1	112.7470	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	107.5570	0.000	1	107.5570	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.7020	0.898	3	110.7020	0.807	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	111.7910	0.000	1	110.5820	1.097	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.9775	0.045	2	110.5820	1.097	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	110.5020	0.000	1	108.8750	5.294	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	107.2480	0.000	1	108.8750	5.294	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.0940	3.074	5	110.0940	9.447	5	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.5366	1.901	5	110.5366	3.612	5	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	H(NC[6a]C)	119.4540	0.000	1	113.5350	70.069	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	107.6160	0.000	1	113.5350	70.069	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.4750	0.000	1	109.4750	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.9797	1.491	4	112.9797	2.224	4	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	113.5330	3.581	2	113.5330	12.822	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	122.3190	0.000	1	122.3190	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	H(NC[6a]C)	113.2780	0.000	1	113.2780	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	108.0700	0.000	1	112.3206	22.406	7	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.0290	4.761	6	112.3206	22.406	7	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.3808	1.383	9	111.3808	1.912	9	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	H(NC[6a]C)	111.8670	3.350	4	111.8670	11.221	4	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	110.8043	4.523	3	114.1455	27.312	6	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4867	3.786	3	114.1455	27.312	6	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4590	4.679	4	115.4590	21.891	4	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	104.6650	0.000	1	104.6650	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	112.3090	0.000	1	114.5270	3.523	12	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]C)	113.2960	0.000	1	114.5270	3.523	12	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	115.2720	0.000	1	114.5270	3.523	12	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]C)	114.6760	0.000	1	114.5270	3.523	12	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.6934	2.222	7	114.5270	3.523	12	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	115.9170	0.000	1	114.5270	3.523	12	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCHP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.4470	0.000	1	115.4470	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.0830	0.000	1	112.0830	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.6100	0.000	1	115.6100	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.3670	0.000	1	110.3670	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	H(NC[6a]C)	113.3910	0.000	1	113.3910	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.4720	0.000	1	111.4720	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.1910	4.483	2	114.1910	20.098	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.8330	0.000	1	114.8330	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.1510	0.000	1	116.1510	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	H(NC[6a]C)	116.2260	0.000	1	116.2260	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.6690	0.000	1	110.6690	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	114.4110	0.000	1	114.4110	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	109.5065	4.752	2	109.5065	22.586	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	112.2770	0.000	1	110.6250	5.458	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	108.9730	0.000	1	110.6250	5.458	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	120.1440	0.000	1	120.1440	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.3730	0.000	1	115.3730	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.4000	0.000	1	117.4000	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C)	117.5010	0.000	1	114.5713	19.458	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.1065	5.103	2	114.5713	19.458	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.6140	0.000	1	111.6140	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.0360	3.398	4	112.0360	11.548	4	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	116.4925	0.815	2	116.4925	0.665	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.2070	0.000	1	111.2070	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	113.2893	3.015	19	113.2893	9.093	19	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.6973	6.895	3	111.6973	47.544	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.0189	5.373	8	112.0189	28.872	8	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C)	118.9960	0.000	1	112.2824	10.130	14	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.7659	2.632	13	112.2824	10.130	14	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	110.2525	0.238	2	110.2525	0.057	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	115.8270	0.000	1	115.8270	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	H(NC[6a]C)	117.4965	3.654	2	117.4965	13.349	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	H(NC[6a]C)	113.2850	0.000	1	112.3939	4.765	19	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.1675	2.355	15	112.3939	4.765	19	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	112.6390	1.549	2	112.3939	4.765	19	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	H(NC[6a]C)	114.4100	0.000	1	112.3939	4.765	19	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	H(NC[6a]C)	110.0633	2.500	3	110.0633	6.249	3	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]C)	112.9425	0.653	2	112.9425	0.426	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	H(NC[6a]C)	114.5770	0.000	1	114.5770	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.8860	0.000	1	115.8860	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	121.2150	0.000	1	121.2150	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,3|H<1>}	H(NC[6a]C)	112.0430	0.000	1	113.5860	4.762	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	H(NC[6a]C)	115.1290	0.000	1	113.5860	4.762	2	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	118.6560	0.000	1	118.6560	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C)	114.9000	0.000	1	114.9000	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	117.5640	0.000	1	117.5640	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.5100	1.478	4	114.5100	2.186	4	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHPP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHPP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.7630	0.000	1	114.7630	0.000	1	112.8757	12.196	191	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	109.7640	0.000	1	109.7640	0.000	1	116.1585	81.779	2	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	H(NC[6a]C[5])	122.5530	0.000	1	122.5530	0.000	1	116.1585	81.779	2	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H){1|N<2>,2|H<1>,4|C<3>}	H(NC[6a]C[6])	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	113.0380	0.000	1	113.0380	0.000	1	112.8383	6.950	6	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	110.2810	1.260	2	110.2810	1.588	2	112.8383	6.950	6	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	114.4767	2.449	3	114.4767	5.995	3	112.8383	6.950	6	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Ga-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	C[6a](C[6a]C[6a]C)2(NGaH)	H(NC[6a]Ga)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	C[6a](C[6a]C[6a]C)2(NGaH){1|C<3>,2|H<1>}	H(NC[6a]Ga)	110.4875	0.815	2	110.4875	0.665	2	110.4875	0.665	2	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	113.2720	3.142	3	113.2720	9.870	3	112.0010	7.979	5	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NRuHH)(H)	C[6a](C[6a]C[6a]H)2(NHN)	H(NC[6a]N)	N(C[6a]C[6a]2)(NRuHH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	H(NC[6a]N)	110.0945	0.248	2	110.0945	0.062	2	112.0010	7.979	5	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	117.2635	0.917	2	117.2635	0.841	2	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<3>,2|C<3>}	H(NC[6a]P)	112.5018	2.539	8	112.5018	6.445	8	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PHNW)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PHNW)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	109.4460	0.000	1	109.4460	0.000	1	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	H(NC[6a]P)	116.7410	0.000	1	116.7410	0.000	1	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	H(NC[6a]P)	113.0987	1.154	3	113.0987	1.333	3	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	116.0153	1.885	3	116.0153	3.552	3	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]P)	110.6430	0.000	1	110.6430	0.000	1	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|O<2>}	H(NC[6a]P)	113.4650	0.000	1	113.4650	0.000	1	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PN[6]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PN[6]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	113.4450	0.000	1	113.4450	0.000	1	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(NHP)	H(NC[6a]P)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	H(NC[6a]P)	114.7883	0.986	3	114.7883	0.971	3	113.7495	6.610	24	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	H(NC[6a]P[4])	114.7390	1.708	2	114.7390	2.919	2	114.7390	2.919	2	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6a]S)	116.0080	2.967	2	113.9380	10.142	5	113.9380	10.142	5	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	H(NC[6a]S)	113.8000	0.000	1	113.9380	10.142	5	113.9380	10.142	5	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	H(NC[6a]S)	114.6910	0.000	1	113.9380	10.142	5	113.9380	10.142	5	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	109.1830	0.000	1	113.9380	10.142	5	113.9380	10.142	5	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a]S)	108.1250	0.000	2	108.1250	0.000	2	108.2083	0.021	3	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<4>,1|O<1>,3|C<3>}	H(NC[6a]S)	108.3750	0.000	1	108.3750	0.000	1	108.2083	0.021	3	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a]S)	108.0840	0.000	1	108.0840	0.000	1	111.7749	12.433	10	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]S)	112.2570	2.245	3	111.0410	9.274	4	111.7749	12.433	10	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	107.3930	0.000	1	111.0410	9.274	4	111.7749	12.433	10	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	117.9780	0.000	1	117.9780	0.000	1	111.7749	12.433	10	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	H(NC[6a]S)	114.5010	0.658	2	111.8808	9.924	4	111.7749	12.433	10	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|O<2>,3|C<3>}	H(NC[6a]S)	109.2605	1.370	2	111.8808	9.924	4	111.7749	12.433	10	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	122.7760	0.000	1	122.7760	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.0120	0.000	1	115.0120	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.0950	0.000	1	117.0950	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	111.0480	0.000	1	113.3268	5.412	4	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	116.0750	0.000	1	113.3268	5.412	4	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	111.7920	0.000	1	113.3268	5.412	4	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	114.3920	0.000	1	113.3268	5.412	4	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]F)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]F)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.7710	0.000	1	117.7710	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	118.6370	0.000	2	117.1787	6.380	3	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	114.2620	0.000	1	117.1787	6.380	3	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	116.2120	0.000	1	116.2120	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	115.0145	0.507	6	115.0145	0.257	6	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	116.6525	0.238	2	116.6525	0.057	2	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(NC[6a]S)	114.4580	0.000	1	114.4580	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	110.4620	0.000	1	110.4620	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	H(NC[6a]S)	116.8110	0.000	1	116.8110	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	113.6655	6.895	2	113.6655	47.541	2	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	115.1969	2.325	9	115.4876	11.828	35	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	112.8270	0.000	1	115.4876	11.828	35	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.6987	3.819	25	115.4876	11.828	35	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.4113	1.728	3	115.4113	2.987	3	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(NC[6a]S)	119.1660	0.000	1	119.1660	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>,2|H<1>}	H(NC[6a]S)	124.4570	0.000	1	119.2480	54.267	2	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	H(NC[6a]S)	114.0390	0.000	1	119.2480	54.267	2	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.5796	1.577	8	115.9107	2.939	16	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	115.2417	1.670	8	115.9107	2.939	16	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	117.9440	0.000	1	115.3360	16.573	9	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.0100	4.225	8	115.3360	16.573	9	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	117.3353	1.172	3	116.7920	2.097	4	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	115.1620	0.000	1	116.7920	2.097	4	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]S)	115.8214	2.138	7	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|F<1>,1|H<1>}	H(NC[6a]S)	113.8950	0.000	1	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]S)	115.4430	0.000	1	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a]S)	114.6530	1.563	2	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	H(NC[6a]S)	116.3102	2.795	5	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	114.3625	2.846	36	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]S)	113.5284	4.583	7	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	H(NC[6a]S)	119.0420	0.000	1	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){2|Cl<1>,1|C<3>}	H(NC[6a]S)	112.9335	2.033	4	114.5855	8.735	64	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	113.0840	0.000	1	113.0840	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SFOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SFOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	114.6275	2.071	2	114.6275	4.290	2	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	116.6300	2.564	3	116.6300	6.575	3	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SO3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	H(NC[6a]S)	N(C[6a]C[6a]2)(SO3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	H(NC[6a]S)	115.2780	0.000	1	115.2780	0.000	1	115.2582	9.242	166	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:S-4:H-1:	N[5a,6a]-3:C[5,6a]-3:N-3:	N-3:	N(C[6a]N[5a,6a]C[5,6a])(SC[6a]OO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS)	H(NC[6a]S)	N(C[6a]N[5a,6a]C[5,6a])(SC[6a]OO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(NC[6a]S)	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]Si)	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	108.7970	0.000	1	108.7970	0.000	1	110.0397	5.314	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|C<4>}	H(NC[6a]Si)	113.2550	0.000	1	113.2550	0.000	1	110.0397	5.314	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	110.0820	0.000	1	110.0820	0.000	1	110.0397	5.314	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	H(NC[6a]Si)	108.0250	0.000	1	108.0250	0.000	1	110.0397	5.314	4	113.8861	12.360	455	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	2:2:3:	3:	C[5]-4:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5]H){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C[5])	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:2:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[5])	117.0580	0.000	1	116.1015	1.830	2	116.1015	1.830	2	116.1015	1.830	2	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:2:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.1450	0.000	1	116.1015	1.830	2	116.1015	1.830	2	116.1015	1.830	2	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	B[5a]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H)	H(NB[5a]C[6a])	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	H(NB[5a]C[6a])	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.1030	0.000	1	111.1030	0.000	1	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	89.9782	0.000	1	89.9782	0.000	1	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.3680	0.000	1	114.3680	0.000	1	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	114.7100	0.000	1	114.7100	0.000	1	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	111.8600	2.546	2	111.8600	6.480	2	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	108.2120	0.000	1	108.2120	0.000	1	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	H(NC[6a]C)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	H(NC[6a]C)	112.9650	1.148	4	112.9650	1.317	4	110.3592	49.765	11	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	H(NC[5,6]C[6a])	N(C[5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	H(NC[5,6]C[6a])	115.4642	0.650	4	115.4642	0.422	4	115.4642	0.422	4	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	113.8270	0.000	1	113.8270	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	108.5580	0.000	1	108.5580	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	110.6680	0.000	1	110.6680	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	111.0698	4.128	5	111.0698	17.044	5	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a]C[5])	115.4400	0.000	1	115.4400	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	111.9070	0.000	1	111.9070	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	103.0825	6.424	2	103.0825	41.268	2	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.1695	0.078	2	115.1695	0.006	2	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H){1|C<3>,1|H<1>}	H(NC[6a]C[5])	115.0730	0.000	1	115.0730	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	115.6282	1.361	5	115.6282	1.853	5	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	120.1500	0.000	1	120.1500	0.000	1	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	H(NC[6a]C[5])	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	H(NC[6a]C[5])	112.5170	1.482	2	112.5170	2.197	2	112.6370	21.100	23	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6,6]H)	H(NC[6,6]C[6a])	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6,6]H){1|C<3>,2|H<1>}	H(NC[6,6]C[6a])	113.8465	2.259	2	113.8465	5.104	2	113.8465	5.104	2	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	111.8780	0.000	1	111.8780	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.1530	0.000	1	117.1530	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.4330	0.000	1	116.4330	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	111.0000	0.000	1	111.0000	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.4900	0.000	1	115.4900	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|C<4>}	H(NC[6a]C[6])	113.9310	0.000	1	113.7790	1.590	4	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	112.9495	1.049	2	113.7790	1.590	4	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|O<2>}	H(NC[6a]C[6])	115.2860	0.000	1	113.7790	1.590	4	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.0180	0.000	1	115.0180	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.7360	0.000	1	116.7360	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.4710	0.000	1	116.4710	0.000	1	114.6079	4.249	12	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	In[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(In[6]N[6]2N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NIn[6]H)	H(NC[6a]In[6])	N(In[6]N[6]2N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NIn[6]H){1|C<3>,2|H<1>}	H(NC[6a]In[6])	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579
956	643	951	0:SP3_SP-NON_SP2	N	C[6a]	H	4:3:1:	3:3:3:	3:	P[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	H(NC[6a]P[6])	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a]P[6])	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	112.8785	21.322	55	114.3363	14.608	2579	114.3363	14.608	2579