930	762	940	0:SP2_SP-NON_SP2	C	C[6]	P	3:2:4:	3:3:3:	3:3:	C[6]-3:P-2:C-4:	N[6]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]N[6]2)(PC[6a])(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP)	P(C[6a]C[6a]2)(CC[6]C)	C(C[6]N[6]2)(PC[6a])(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(CC[6]C)	114.5773	0.491	3	114.5773	0.242	3	114.5773	0.242	3	114.5773	0.242	3	114.5773	0.242	3	114.5773	0.242	3
930	762	941	0:SP2_SP2_SP2	C	C[6,6]	N	3:2:1:	4:3:3:	4:3:	C[6,6]-3:N-2:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C-4:C-3:	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	N(CC[6a]CH)(CC[6,6]H)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	N(CC[6a]CH)(CC[6,6]H)	124.2662	0.908	6	124.2662	0.825	6	124.2662	0.825	6	124.2662	0.825	6	124.2662	0.825	6	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:2:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-2:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:1:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]O)(H)	117.3690	0.000	1	117.7897	0.602	3	117.5025	0.731	4	117.5025	0.731	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:1:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	N(CC[6]O)(H)	117.3150	0.000	1	117.7897	0.602	3	117.5025	0.731	4	117.5025	0.731	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:1:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	N(CC[6]O)(H)	118.6850	0.000	1	117.7897	0.602	3	117.5025	0.731	4	117.5025	0.731	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:1:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)2(CNO)	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	N(CC[6]O)(H)	116.6410	0.000	1	116.6410	0.000	1	117.5025	0.731	4	117.5025	0.731	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6,6a]C[6])(NO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN)	N(CC[6]H)(OH)	C(C[6]C[6,6a]C[6])(NO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN){1|N<3>,2|C<3>,2|H<1>}	N(CC[6]H)(OH)	118.7518	0.799	10	118.7518	0.639	10	118.7518	0.639	10	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Cd<6>,1|C<3>,1|H<1>}	N(CC[6]H)(NC)	119.5200	0.000	1	120.2835	1.166	2	120.0312	1.155	8	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Zn<5>,1|C<3>,1|H<1>}	N(CC[6]H)(NC)	121.0470	0.000	1	120.2835	1.166	2	120.0312	1.155	8	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN)	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	N(CC[6]H)(NC)	119.9472	1.162	6	119.9472	1.350	6	120.0312	1.155	8	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(CC[6]H)(OH)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(OH)	122.9590	0.000	1	122.9590	0.000	1	120.2059	2.151	15	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(OH)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(OH)	120.1110	0.001	2	120.1110	0.000	2	120.2059	2.151	15	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN)	N(CC[6]H)(OH)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	N(CC[6]H)(OH)	119.9922	1.413	12	119.9922	1.997	12	120.2059	2.151	15	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:2:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)2(CNO)	N(CC[6]O)(NC)	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	N(CC[6]O)(NC)	116.0710	0.000	1	116.0710	0.000	1	116.0710	0.000	1	119.6155	2.139	34	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6,6a]2)(NC[6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6,6a]2)(NC[6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	N(C[6a]C[6a]2)(CC[6]H)	124.7150	0.000	1	124.7150	0.000	1	124.7150	0.000	1	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	N(CC[6]H)(NCH)	119.0650	0.000	1	119.0650	0.000	1	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	N(CC[6]H)(NCH)	118.4890	0.000	1	118.4890	0.000	1	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]Cl)2(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]Cl)2(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(NCH)	123.0515	0.105	2	123.0515	0.011	2	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(NCH)	118.7010	0.000	1	119.9126	0.649	5	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	N(CC[6]H)(NCH)	120.6170	0.000	1	119.9126	0.649	5	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Fe<6>,1|C<3>,1|H<1>}	N(CC[6]H)(NCH)	119.8870	0.000	1	119.9126	0.649	5	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<6>,1|C<3>,1|H<1>}	N(CC[6]H)(NCH)	119.6840	0.000	1	119.9126	0.649	5	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Ni<6>,1|C<3>,1|H<1>}	N(CC[6]H)(NCH)	120.6740	0.000	1	119.9126	0.649	5	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	N(CC[6]H)(NCH)	119.5805	1.352	13	119.5805	1.828	13	119.8985	2.306	22	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[5]-3:C-3:	C(C[6]C[6]2)(NC[5])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(C[5]C[5]2)(CC[6]H)	C(C[6]C[6]2)(NC[5])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	N(C[5]C[5]2)(CC[6]H)	119.8010	0.000	1	119.8010	0.000	1	119.8010	0.000	1	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[5a]-3:C-3:	C(C[6]C[6]2)(NC[5a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(C[5a]C[5a]2)(CC[6]H)	C(C[6]C[6]2)(NC[5a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	N(C[5a]C[5a]2)(CC[6]H)	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(C[6]C[6]2)(CC[6]H)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6]H)	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)	122.0070	0.000	1	121.5870	0.353	2	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	121.1670	0.000	1	121.5870	0.353	2	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	123.5030	0.000	1	125.3956	8.412	8	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	125.3916	3.015	5	125.3956	8.412	8	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)	123.4270	0.000	1	125.3956	8.412	8	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]H)	129.2770	0.000	1	125.3956	8.412	8	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(C[6a]C[6a]N[6a])(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CC[6]H)	122.5800	0.000	1	122.5800	0.000	1	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)	121.7213	4.444	3	121.7213	19.751	3	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	121.2103	1.291	4	121.2103	1.667	4	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	121.6304	2.295	5	121.6304	5.266	5	122.9163	9.173	23	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	N[5]-3:C-3:	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(N[5]C[5,6]C[5])(CC[6]H)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	N(N[5]C[5,6]C[5])(CC[6]H)	121.4650	0.000	1	121.4650	0.000	1	119.3440	8.997	2	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	N[5]-3:C-3:	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)2(CHN)	N(N[5]C[5,6]C[5])(CC[6]H)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	N(N[5]C[5,6]C[5])(CC[6]H)	117.2230	0.000	1	117.2230	0.000	1	119.3440	8.997	2	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	N[5a]-3:C-3:	C(C[6]C[6]2)(NN[5a])(H)	C[6](C[6]C[6]H)2(CHN)	N(N[5a]C[5a]2)(CC[6]H)	C(C[6]C[6]2)(NN[5a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	N(N[5a]C[5a]2)(CC[6]H)	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(NCH)	118.2422	0.460	12	118.2422	0.212	12	118.2422	0.212	12	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	118.5080	0.197	2	118.5080	0.039	2	120.0080	6.769	3	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	123.0080	0.000	1	123.0080	0.000	1	120.0080	6.769	3	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]N[5,6]C[6])(NC[6a])(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]N[5,6]C[6])(NC[6a])(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)	112.3985	2.391	2	112.3985	5.716	2	112.3985	5.716	2	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(CC[6]H)(NCH)	117.8395	0.487	2	117.8395	0.237	2	126.1558	58.013	5	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN)	N(CC[6]H)(NPdC)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(CC[6]H)(NPdC)	131.2670	0.390	2	131.2670	0.152	2	126.1558	58.013	5	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	N(CC[6]H)(NCuC)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(NCuC)	132.5660	0.000	1	132.5660	0.000	1	126.1558	58.013	5	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)	120.4245	0.063	2	120.4245	0.004	2	121.5508	1.613	13	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)	121.3660	1.697	2	120.9433	1.976	3	121.5508	1.613	13	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)	120.0980	0.000	1	120.9433	1.976	3	121.5508	1.613	13	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)	122.4250	1.107	6	122.4250	1.226	6	121.5508	1.613	13	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	120.5410	0.000	1	120.5410	0.000	1	121.5508	1.613	13	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)	121.3900	0.000	1	121.3900	0.000	1	121.5508	1.613	13	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]H)(CC[6]H)	119.0700	0.000	1	119.0700	0.000	1	127.3942	53.971	8	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	N(NC[6a]H)(CC[6]H)	118.3500	0.713	2	118.3500	0.508	2	127.3942	53.971	8	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	N(NC[6a]Co)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(NC[6a]Co)(CC[6]H)	133.7480	0.000	1	133.7480	0.000	1	127.3942	53.971	8	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	N(NC[6a]Fe)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(NC[6a]Fe)(CC[6]H)	133.4970	0.000	1	133.4970	0.000	1	127.3942	53.971	8	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	N(NC[6a]Sn)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(NC[6a]Sn)(CC[6]H)	131.5735	0.718	2	131.5735	0.515	2	127.3942	53.971	8	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	N(NC[6a]Zn)(CC[6]H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N(NC[6a]Zn)(CC[6]H)	132.9920	0.000	1	132.9920	0.000	1	127.3942	53.971	8	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(NNO)	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(CC[6]O)(NNO)	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	N(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2)(NC[6a])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]O)	117.8155	0.226	2	117.8155	0.051	2	117.8155	0.051	2	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N(C[6]C[6]N[6])(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N(C[6]C[6]N[6])(CC[6]O)	116.1517	2.486	3	116.1517	6.179	3	116.1517	6.179	3	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	N(C[6a]C[6a]N[6a])(CC[6]O)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	N(C[6a]C[6a]N[6a])(CC[6]O)	115.9430	0.000	1	115.9430	0.000	1	116.2018	0.294	4	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N(C[6a]C[6a]N[6a])(CC[6]O)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N(C[6a]C[6a]N[6a])(CC[6]O)	116.2880	0.630	3	116.2880	0.397	3	116.2018	0.294	4	120.9763	19.697	105	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	N(CC[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	N(CC[6]H)(CCCH)	124.2775	0.397	2	124.2775	0.157	2	124.3187	0.084	3	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	N(CC[6]H)(CCHH)	124.4010	0.000	1	124.4010	0.000	1	124.3187	0.084	3	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6]H)(CCHH)	121.6105	0.131	2	124.1513	11.393	7	124.0653	9.825	8	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	N(CC[6]H)(CCHH)	126.2285	1.063	2	124.1513	11.393	7	124.0653	9.825	8	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(CCHH)	125.1545	6.519	2	124.1513	11.393	7	124.0653	9.825	8	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	N(CC[6]H)(CCHH)	123.0720	0.000	1	124.1513	11.393	7	124.0653	9.825	8	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)2(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	N(CC[6]H)(CCHH)	123.4630	0.000	1	123.4630	0.000	1	124.0653	9.825	8	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(CCHH)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(CCHH)	117.0270	0.000	1	116.5096	2.303	5	116.7135	2.092	6	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(CCHH)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	N(CC[6]O)(CCHH)	114.9985	1.101	2	116.5096	2.303	5	116.7135	2.092	6	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(CCHH)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	N(CC[6]O)(CCHH)	117.7620	0.171	2	116.5096	2.303	5	116.7135	2.092	6	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	3:4:	C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(CH3)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	N(CC[6]O)(CH3)	117.7330	0.000	1	117.7330	0.000	1	116.7135	2.092	6	121.5152	18.334	17	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	4:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C-3:	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]O[6]O)2(CHN)	N(C[6]C[6]2H)(CC[6]H)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	N(C[6]C[6]2H)(CC[6]H)	128.2250	0.000	1	128.2250	0.000	1	128.2250	0.000	1	120.9441	10.942	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	4:3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C-4:C-3:	C(C[6]C[6]N[6])(NC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	N(CC[6a]CH)(CC[6]H)	C(C[6]C[6]N[6])(NC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6]H)	119.5220	0.000	2	119.5220	0.000	2	119.5220	0.000	2	120.9441	10.942	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	4:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-4:C-3:	C(C[6]C[6]N[6])(NC)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN)	N(CC[6a]3)(CC[6]H)	C(C[6]C[6]N[6])(NC)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(CC[6a]3)(CC[6]H)	120.9700	0.414	2	120.9700	0.172	2	120.9700	0.172	2	120.9441	10.942	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	4:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[5]-4:C-3:	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	N(C[5]C[5]2Fe)(CC[6]H)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N(C[5]C[5]2Fe)(CC[6]H)	117.3250	0.532	2	117.3250	0.283	2	119.8220	8.423	4	120.9441	10.942	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:3:3:	4:3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C[5]-4:C-3:	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	N(C[5]C[5]2Fe)(CC[6]H)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]2Fe)(CC[6]H)	122.3190	0.216	2	122.3190	0.047	2	119.8220	8.423	4	120.9441	10.942	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	3:4:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	N(CC[6]H)(NCH)	119.4600	0.120	2	119.4600	0.014	2	119.4600	0.014	2	119.4600	0.014	2	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN)	N(CC[6]H)(NC)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN){1|C<4>,4|H<1>}	N(CC[6]H)(NC)	121.7880	0.399	2	121.7880	0.159	2	121.7880	0.159	2	122.9563	4.175	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:2:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	N(CC[6]H)(OH)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	N(CC[6]H)(OH)	125.2930	0.000	1	125.2930	0.000	1	125.2930	0.000	1	122.9563	4.175	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	N(CC[6]H)(NCH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	N(CC[6]H)(NCH)	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.8045	0.302	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:S-3:	C(C[6]C[6]2)(NS)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	N(CC[6]H)(SCO)	C(C[6]C[6]2)(NS)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(CC[6]H)(SCO)	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	120.8045	0.302	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	N(NC[6a]H)(CC[6]H)	120.7070	0.000	1	120.7070	0.000	1	120.9840	0.153	2	120.8045	0.302	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	N(NC[6a]H)(CC[6]H)	121.2610	0.000	1	121.2610	0.000	1	120.9840	0.153	2	120.8045	0.302	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	3:4:	C[6]-3:N-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO)	N(CC[6]O)(CCHH)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	N(CC[6]O)(CCHH)	117.2400	0.000	1	117.2400	0.000	1	117.2400	0.000	1	117.2400	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:1:	4:3:3:	4:3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	S-4:C-3:	C(C[6]C[6]2)(NS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	N(SC[6a]OO)(CC[6]H)	C(C[6]C[6]2)(NS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	N(SC[6a]OO)(CC[6]H)	122.6410	0.000	1	122.6410	0.000	1	122.6410	0.000	1	122.6410	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	2:2:3:	3:3:	C[6]-3:N-2:N-2:	C[6]-2:C[6]-2:C-3:	C-3:C-3:	C(C[6]C[6]2)(NC[6])(NC)	C[6](C[6]C[6])2(CNN)	N(CC[6]N)(CNO)	C(C[6]C[6]2)(NC[6])(NC)	C[6](C[6]C[6])2(CNN){1|C<2>}	N(CC[6]N)(CNO)	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	119.7425	105.401	2	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	2:2:3:	3:3:	C[6]-3:N-2:N-2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C-3:	C(C[6]C[6]2)(NC[6])(NC)	C[6](C[6]C[6])2(CNN)	N(C[6]C[6]2)(CC[6]N)	C(C[6]C[6]2)(NC[6])(NC)	C[6](C[6]C[6])2(CNN){1|C<2>}	N(C[6]C[6]2)(CC[6]N)	127.0020	0.000	1	127.0020	0.000	1	127.0020	0.000	1	119.7425	105.401	2	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:1:	C[6]-3:O-2:N-2:	N[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]N[6])(ONi)(NH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	N(CC[6]O)(H)	C(C[6]C[6]N[6])(ONi)(NH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(H)	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:O-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(ORu)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N(C[6]C[6]N[6])(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(ORu)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N(C[6]C[6]N[6])(CC[6]O)	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:O-2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	N(C[6]C[6]N[6])(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(CC[6]O)	112.8965	0.445	2	112.8965	0.198	2	113.5918	1.467	6	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:O-2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	N(C[6]C[6]2)(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6]O)	115.6690	0.000	1	115.6690	0.000	1	113.5918	1.467	6	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:O-2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	N(C[6]C[6]N[6])(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(CC[6]O)	114.3960	0.000	1	114.3960	0.000	1	113.5918	1.467	6	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:O-2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	N(C[6]C[6]N[6])(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(CC[6]O)	112.8465	0.316	2	112.8465	0.100	2	113.5918	1.467	6	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SAu)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SAu)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]S)	117.3365	0.441	2	117.3365	0.194	2	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]S)	117.6194	0.711	5	117.6194	0.505	5	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SNi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SNi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	118.0230	0.000	1	118.0230	0.000	1	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	116.6880	0.696	4	116.4518	0.642	5	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]S)	115.5070	0.000	1	116.4518	0.642	5	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SPt)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SPt)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]S)	117.0748	1.893	12	117.0748	3.585	12	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	116.3600	1.406	3	116.0741	1.378	9	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:N-2:S-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]S)	115.9312	1.158	6	116.0741	1.378	9	116.8417	2.026	34	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:O-2:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N(CC[6]O)(NMoC)	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(NMoC)	119.3400	0.000	1	119.3400	0.000	1	118.0246	3.753	10	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:O-2:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)2(CNO)	N(CC[6]O)(NMoC)	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	N(CC[6]O)(NMoC)	118.8146	0.841	7	118.8146	0.707	7	118.0246	3.753	10	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:O-2:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(OZn)(NN)	C[6](C[6]C[6]H)2(CNO)	N(CC[6]O)(NZnC)	C(C[6]C[6]2)(OZn)(NN)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	N(CC[6]O)(NZnC)	114.6020	0.115	2	114.6020	0.013	2	118.0246	3.753	10	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:3:	C[6]-3:O-2:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(OFe)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	N(CC[6]O)(NFeC)	C(C[6]C[6]N[6])(OFe)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(NFeC)	115.7945	1.790	2	115.7945	3.203	2	115.7945	3.203	2	116.6368	3.648	53	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:4:	C[6]-3:O-2:N-2:	N[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]N[6])(OLi)(NC)	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO)	N(CC[6]O)(CCHH)	C(C[6]C[6]N[6])(OLi)(NC)	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	N(CC[6]O)(CCHH)	118.4080	0.000	1	118.4080	0.000	1	118.3847	0.268	4	117.8539	0.446	8	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:4:	C[6]-3:O-2:N-2:	N[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]N[6])(ONi)(NC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	N(CC[6]O)(CCHH)	C(C[6]C[6]N[6])(ONi)(NC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	N(CC[6]O)(CCHH)	118.5310	0.000	1	118.5310	0.000	1	118.3847	0.268	4	117.8539	0.446	8	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:4:	C[6]-3:O-2:N-2:	N[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]N[6])(OOs)(NC)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNO)	N(CC[6]O)(CC3)	C(C[6]C[6]N[6])(OOs)(NC)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(CC3)	118.9200	0.000	1	118.9200	0.000	1	118.3847	0.268	4	117.8539	0.446	8	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:4:	C[6]-3:O-2:N-2:	N[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]N[6])(ORu)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	N(CC[6]O)(CC3)	C(C[6]C[6]N[6])(ORu)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(CC3)	117.6800	0.000	1	117.6800	0.000	1	118.3847	0.268	4	117.8539	0.446	8	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	3:4:	C[6]-3:S-2:N-2:	N[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]N[6])(SPd)(NC)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	N(CC[6]S)(CCHH)	C(C[6]C[6]N[6])(SPd)(NC)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(CC[6]S)(CCHH)	117.3230	0.144	4	117.3230	0.021	4	117.3230	0.021	4	117.8539	0.446	8	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	4:3:	C[6]-3:O-2:N-2:	N[6]-3:C[6]-3:C-3:	P-4:C-3:	C(C[6]C[6]N[6])(ORu)(NP)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	N(PC[6a]3)(CC[6]O)	C(C[6]C[6]N[6])(ORu)(NP)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(PC[6a]3)(CC[6]O)	116.9350	0.140	2	116.9350	0.020	2	116.9350	0.020	2	116.3526	0.457	5	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:2:	3:3:3:	4:3:	C[6]-3:S-2:N-2:	N[6]-3:C[6]-3:C-3:	C-4:C-3:	C(C[6]C[6]N[6])(SRu)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	N(CC[6a]HH)(CC[6]S)	C(C[6]C[6]N[6])(SRu)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6]S)	115.9643	0.583	3	115.9643	0.340	3	115.9643	0.340	3	116.3526	0.457	5	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:3:	3:3:3:	3:3:	C[6]-3:N-2:N-3:	C[6]-3:N[6]-3:C-3:	C[5]-3:C-3:	C(C[6]C[6]N[6])(NC[5])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	N(C[5]C[5,6a]N[5])(CC[6]N)	C(C[6]C[6]N[6])(NC[5])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC[6]N)	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	115.5707	3.414	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:3:	3:3:3:	3:3:	C[6]-3:N-2:S-3:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(SRu2)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6])(NC[6a])(SRu2)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]S)	116.4495	1.481	2	116.4495	2.195	2	116.4495	2.195	2	115.5707	3.414	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:4:	3:3:3:	3:3:	C[6]-3:N-2:C-4:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	N(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]C)	114.9545	1.041	4	114.9545	1.083	4	114.9508	0.994	9	114.9508	0.994	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:4:	3:3:3:	3:3:	C[6]-3:N-2:C-4:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	N(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]C)	115.2788	0.915	4	115.2788	0.837	4	114.9508	0.994	9	114.9508	0.994	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:4:	3:3:3:	3:3:	C[6]-3:N-2:C-4:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	N(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]C)	113.6240	0.000	1	113.6240	0.000	1	114.9508	0.994	9	114.9508	0.994	9	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:4:	3:3:3:	4:3:	C[6]-3:N-2:C-4:	N[6]-3:C[6]-3:C-3:	C[6]-4:C-3:	C(C[6]C[6]N[6])(NC[6])(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	N(C[6]C[6]2Fe)(CC[6]C)	C(C[6]C[6]N[6])(NC[6])(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|N<2>}	N(C[6]C[6]2Fe)(CC[6]C)	127.6540	0.000	1	127.6540	0.000	1	127.6540	0.000	1	127.6540	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:2:4:	4:2:3:	3:3:	C[6]-3:N-2:C-4:	C[6,6]-4:N[6]-2:C-3:	C[6a]-3:C-3:	C(C[6]C[6,6]N[6])(NC[6a])(CH3)	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN)	N(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6,6]N[6])(NC[6a])(CH3)	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN){2|C<3>,2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(CC[6]C)	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:2:3:	3:2:	C[6]-3:N-3:N-2:	C[6]-3:N[6]-2:C-3:	C-3:O-2:	C(C[6]C[6]N[6])(NHH)(NO)	C[6](C[6]C[6]H)(N[6]N[6])(CNN)	N(CC[6]N)(OH)	C(C[6]C[6]N[6])(NHH)(NO)	C[6](C[6]C[6]H)(N[6]N[6])(CNN){1|Ni<6>,1|C<3>,1|H<1>}	N(CC[6]N)(OH)	116.3403	1.125	3	116.3403	1.265	3	116.3403	1.265	3	118.3145	16.433	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-2:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	N(CC[6a]C[6])(NCr)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCr)	124.2370	0.000	1	124.2370	0.000	1	124.2370	0.000	1	118.3145	16.433	4	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-2:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	116.5590	0.276	2	116.5590	0.076	2	116.5590	0.076	2	116.5590	0.076	2	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:1:	C[6]-3:N-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]N[6])(NMnN)(NH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NMnN)(NH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	N(CC[6]N)(H)	120.7280	0.000	1	120.7280	0.000	1	120.7050	0.040	3	118.0159	6.539	7	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:1:	C[6]-3:N-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]N[6])(NNiN)(NH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NNiN)(NH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	N(CC[6]N)(H)	120.4940	0.000	1	120.4940	0.000	1	120.7050	0.040	3	118.0159	6.539	7	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:1:	C[6]-3:N-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:H-1:	C(C[6]C[6]N[6])(NPtN)(NH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN)	N(CC[6]N)(H)	C(C[6]C[6]N[6])(NPtN)(NH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	N(CC[6]N)(H)	120.8930	0.000	1	120.8930	0.000	1	120.7050	0.040	3	118.0159	6.539	7	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(CC[6a]N)	N(CC[6a]C[6])(N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	N(CC[6a]C[6])(N)	115.9990	0.629	4	115.9990	0.396	4	115.9990	0.396	4	118.0159	6.539	7	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:2:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6]N[6])2(NO)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]N)	N(CC[6]2)(OH)	C(C[6]C[6]N[6])2(NO)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	N(CC[6]2)(OH)	121.2670	12.150	2	121.2670	147.611	2	121.2670	147.611	2	118.6282	43.328	5	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:2:	C[6]-3:N-3:N-2:	C[6]-3:C[6]-3:C-3:	C-3:O-2:	C(C[6]C[6]2)(NHH)(NO)	C[6](C[6]C[6]H)2(CNN)	N(CC[6]N)(OH)	C(C[6]C[6]2)(NHH)(NO)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	N(CC[6]N)(OH)	117.5150	0.000	1	117.5150	0.000	1	117.5150	0.000	1	118.6282	43.328	5	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:2:	C[6]-3:N-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]N[6])(NHH)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	N(CC[6]N)(NC)	C(C[6]C[6]N[6])(NHH)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	N(CC[6]N)(NC)	116.5460	1.366	2	116.5460	1.866	2	116.5460	1.866	2	118.6282	43.328	5	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C-3:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CHH)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CHH)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(CC[6]C)(NCH)	113.5160	0.000	1	113.5160	0.000	1	113.5160	0.000	1	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C-3:N-2:	C[6]-3:N[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	N(NC[6a]Zn)(CC[6]C)	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(NC[6a]Zn)(CC[6]C)	112.1900	0.000	1	112.1900	0.000	1	113.4857	1.924	3	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C-3:N-2:	C[6]-3:N[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[6]C)	114.1335	1.153	2	114.1335	1.330	2	113.4857	1.924	3	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C-3:N-2:	N[6]-3:C[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(CCO)(NN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN)	N(NC[6a]Zn)(CC[6]C)	C(C[6]C[6]N[6])(CCO)(NN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	N(NC[6a]Zn)(CC[6]C)	112.2945	0.459	2	112.2945	0.211	2	112.2945	0.211	2	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	N(CC[6a]C[6])(NCH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	113.8680	0.000	1	113.8680	0.000	1	113.8680	0.000	1	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[6])	115.5915	1.078	4	115.5915	1.162	4	115.3465	0.867	6	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N-2:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[6])	114.8565	0.361	2	114.8565	0.131	2	115.3465	0.867	6	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:N-3:N-2:	C[6]-3:C[6]-3:C-3:	C-3:C-3:	C(C[6]C[6]2)(NNiH)(NC)	C[6](C[6]C[6]H)2(CNN)	N(CC[6]N)2	C(C[6]C[6]2)(NNiH)(NC)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	N(CC[6]N)2	112.5208	0.653	4	112.5208	0.426	4	111.9020	1.162	8	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:N-3:N-2:	C[6]-3:C[6]-3:C-3:	C-3:C-3:	C(C[6]C[6]2)(NPdH)(NC)	C[6](C[6]C[6]H)2(CNN)	N(CC[6]N)2	C(C[6]C[6]2)(NPdH)(NC)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	N(CC[6]N)2	111.2833	1.124	4	111.2833	1.263	4	111.9020	1.162	8	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:O-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(OFe2)(NN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	N(CC[6]O)(NFeC)	C(C[6]C[6]N[6])(OFe2)(NN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(NFeC)	117.8563	0.072	3	117.8563	0.005	3	116.2357	1.850	19	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:O-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(OMn2)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	N(CC[6]O)(NMnC)	C(C[6]C[6]N[6])(OMn2)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N(CC[6]O)(NMnC)	116.7515	0.617	4	115.8237	1.939	12	116.2357	1.850	19	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:O-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(OMn2)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	N(CC[6]O)(NMnC)	C(C[6]C[6]N[6])(OMn2)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	N(CC[6]O)(NMnC)	115.3597	1.465	8	115.8237	1.939	12	116.2357	1.850	19	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:O-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(ONi2)(NN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	N(CC[6]O)(NNiC)	C(C[6]C[6]N[6])(ONi2)(NN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	N(CC[6]O)(NNiC)	116.6915	1.112	2	116.6915	1.237	2	116.2357	1.850	19	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6]-3:O-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(ONi2)(NN)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNO)	N(CC[6]O)(NNiC)	C(C[6]C[6]N[6])(ONi2)(NN)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>}	N(CC[6]O)(NNiC)	115.8215	0.211	2	115.8215	0.045	2	116.2357	1.850	19	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NCH)	111.9775	0.955	2	111.9775	0.913	2	111.9775	0.913	2	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N)	N(CC[6a]C[6])(NReC)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]C[6])(NReC)	127.2550	0.000	1	127.2550	0.000	1	127.2550	0.000	1	114.8701	8.333	43	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	4:3:	C[6]-3:C[6a]-3:N-2:	N[6]-3:C[6]-3:C-3:	C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	N(C[6]C[6]2Fe)(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	N(C[6]C[6]2Fe)(CC[6a]C[6])	129.7340	0.000	1	129.7340	0.000	1	129.7340	0.000	1	121.2320	54.616	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	4:3:	C[6]-3:N-3:N-2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C-3:	C(C[6]C[6]2)(NC[6a]H)(NC[6])	C[6](C[6]C[6]H)2(CNN)	N(C[6]C[6]2Mo)(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(NC[6])	C[6](C[6]C[6]H)2(CNN){1|C<3>,2|H<1>}	N(C[6]C[6]2Mo)(CC[6]N)	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	121.2320	54.616	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	3:3:3:	4:3:	C[6]-3:S-3:N-2:	N[6]-3:C[6]-3:C-3:	C-4:C-3:	C(C[6]C[6]N[6])(SRu2)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	N(CC[6a]HH)(CC[6]S)	C(C[6]C[6]N[6])(SRu2)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6]S)	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	121.2320	54.616	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:2:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:C[6]-2:C-3:	C-3:N-3:	C(C[6]C[6]2)(CCHH)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	N(CC[6]C)(NCC)	C(C[6]C[6]2)(CCHH)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	N(CC[6]C)(NCC)	114.7540	0.000	1	114.7540	0.000	1	114.7540	0.000	1	114.4220	0.220	2	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:2:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-2:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]N[6]H)(N[6]C[6])(CCN)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]N[6]H)(N[6]C[6])(CCN){1|Sn<6>,1|C<3>,1|H<1>}	N(CC[6]C)(NCH)	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	114.4220	0.220	2	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:2:3:	4:3:	C[6]-3:C-4:N-2:	C[6]-3:C[6]-2:C-3:	S-4:C-3:	C(C[6]C[6]2)(CH3)(NS)	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	N(SC[6a]OO)(CC[6]C)	C(C[6]C[6]2)(CH3)(NS)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6]C)	116.8390	0.000	1	116.8390	0.000	1	116.8390	0.000	1	116.8390	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:2:	C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	N(CC[6]C)(NC)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<6>,1|C<3>,1|H<1>}	N(CC[6]C)(NC)	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	115.3497	0.462	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:2:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-2:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N(CC[6]C)(NC[5])	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(CC[6]C)(NC[5])	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	115.3497	0.462	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:2:	C[6]-3:C-4:N-2:	N[5,6]-3:C[6]-3:C-3:	C-3:N-2:	C(C[6]N[5,6]C[6])(CH3)(NN)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(CCN)	N(CC[6]C)(NC)	C(C[6]N[5,6]C[6])(CH3)(NN)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(CCN){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	N(CC[6]C)(NC)	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.3497	0.462	3	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	N(CC[6]C)(NCH)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|C<3>,2|H<1>}	N(CC[6]C)(NCH)	114.3950	0.781	2	113.9173	0.989	3	113.9173	0.989	3	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	N(CC[6]C)(NCH)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<4>,1|C<3>,1|H<1>}	N(CC[6]C)(NCH)	112.9620	0.000	1	113.9173	0.989	3	113.9173	0.989	3	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(CC[6]C)(NCH)	114.0133	0.472	6	114.0855	0.490	8	114.0855	0.490	8	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N(CC[6]C)(NCH)	114.3020	1.479	2	114.0855	0.490	8	114.0855	0.490	8	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-3:C-3:	N-3:C-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(NC[6a]H)(CC[6]C)	114.1962	0.241	4	114.1962	0.058	4	114.1962	0.058	4	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	N[5,6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]N[5,6]C[6])(CH3)(NN)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(CCN)	N(CC[6]C)(NCH)	C(C[6]N[5,6]C[6])(CH3)(NN)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(CCN){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	N(CC[6]C)(NCH)	114.7125	0.006	2	114.7125	0.000	2	114.7125	0.000	2	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	N(CC[6]C)(NCuC)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N(CC[6]C)(NCuC)	130.7850	0.000	1	130.7850	0.000	1	130.2807	5.968	3	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	N(CC[6]C)(NNiC)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N(CC[6]C)(NNiC)	127.6250	0.000	1	127.6250	0.000	1	130.2807	5.968	3	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	N[6]-3:C[6]-3:C-3:	C-3:N-3:	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	N(CC[6]C)(NPdC)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N(CC[6]C)(NPdC)	132.4320	0.000	1	132.4320	0.000	1	130.2807	5.968	3	116.5744	35.863	20	118.6166	18.113	356	118.7102	18.345	362
930	762	941	0:SP2_SP2_SP2	C	C[6]	N	3:4:2:	3:3:3:	3:4:	C[6]-3:C-4:N-2:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6]C[6]2)(CH3)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	N(CC[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6]C)(CCHH)	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	118.6166	18.113	356	118.7102	18.345	362
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:1:1:	3:4:3:	3:	C[6]-3:H-1:I-1:	N[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]N[6,6]C[6])(H)(I)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	I(CC[6]H)	C(C[6]N[6,6]C[6])(H)(I)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	I(CC[6]H)	123.6610	0.000	1	123.6610	0.000	1	123.6610	0.000	1	123.6610	0.000	1	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:1:1:	4:2:3:	3:	C[6]-3:H-1:I-1:	C[6]-4:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(H)(I)	C[6](C[6]C[6]HH)(S[6]C[6])(CHI)	I(CC[6]H)	C(C[6]C[6]S[6])(H)(I)	C[6](C[6]C[6]HH)(S[6]C[6])(CHI){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	I(CC[6]H)	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:1:1:	4:3:3:	3:	C[6]-3:H-1:I-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	I(CC[6]H)	C(C[6]C[6]2)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	I(CC[6]H)	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:I-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	I(CC[6a]C[6])	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	I(CC[6a]C[6])	118.3513	0.773	3	118.3513	0.598	3	118.3513	0.598	3	118.3513	0.598	3	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	I(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	I(CC[6a]C[6])	119.9115	0.158	2	119.9115	0.025	2	120.4220	0.794	3	120.0295	1.146	4	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	I(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	I(CC[6a]C[6])	121.4430	0.000	1	121.4430	0.000	1	120.4220	0.794	3	120.0295	1.146	4	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:I-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I)	I(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I){1|H<1>,1|O<2>,2|C<3>}	I(CC[6a]C[6])	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	120.0295	1.146	4	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:3:1:	4:4:3:	3:	C[6]-3:C-3:I-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]O)(I)	C[6](C[6]C[6]HH)2(CCI)	I(CC[6]C)	C(C[6]C[6]2)(CC[6a]O)(I)	C[6](C[6]C[6]HH)2(CCI){1|C<4>,4|H<1>}	I(CC[6]C)	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:4:1:	3:2:3:	3:	C[6]-3:C-4:I-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(CCHH)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI)	I(CC[6]C)	C(C[6]C[6,6a]O[6])(CCHH)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI){1|H<1>,1|N<2>,3|C<3>}	I(CC[6]C)	118.1890	0.626	2	118.1890	0.392	2	118.1890	0.392	2	116.8830	5.313	3	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:4:1:	3:2:3:	3:	C[6]-3:Si-4:I-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(SiC3)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI)	I(CC[6]Si)	C(C[6]C[6,6a]O[6])(SiC3)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI){1|H<1>,1|N<2>,3|C<3>}	I(CC[6]Si)	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	116.8830	5.313	3	118.9708	12.049	16	118.9708	12.049	16
930	762	944	0:SP2_SP-NON_SP2	C	C[6]	I	3:4:1:	4:3:3:	3:	C[6]-3:C-4:I-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC3)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	I(CC[6]C)	C(C[6]C[6]2)(CC3)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	I(CC[6]C)	113.9265	1.415	2	113.9265	2.002	2	113.9265	2.002	2	113.9265	2.002	2	118.9708	12.049	16	118.9708	12.049	16
930	762	945	0:SP2_SP2_SP3	C	C[6]	P	3:3:1:	3:3:3:	3:4:4:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:C-4:C-4:	C(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP)	P(CC[6]H)(CC3)2	C(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	P(CC[6]H)(CC3)2	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	124.1035	1.047	2	124.1035	1.047	2
930	762	945	0:SP2_SP2_SP3	C	C[6]	P	3:3:3:	4:3:3:	3:3:3:	C[6]-3:P-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]2)(PC[6a]2)(COO)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP)	P(C[6a]C[6a]2)2(CC[6]C)	C(C[6]C[6]2)(PC[6a]2)(COO)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP){1|B<4>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]C)	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	124.1035	1.047	2	124.1035	1.047	2
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	3:4:3:	3:	C[6,6]-3:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]N[6,6])(H)2	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]N[6,6])(H)2	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6,6]H)	120.0260	0.062	2	120.0108	0.002	4	120.0108	0.002	4	120.0108	0.002	4	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	3:4:3:	3:	C[6,6]-3:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]N[6,6])(H)2	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]N[6,6])(H)2	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	H(CC[6,6]H)	119.9955	0.005	2	120.0108	0.002	4	120.0108	0.002	4	120.0108	0.002	4	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:3:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	119.9915	0.034	4	119.9915	0.001	4	119.9915	0.001	4	119.4870	1.273	5	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:3:3:	3:	C[6,6]-3:H-1:O-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	H(CC[6,6]O)	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	H(CC[6,6]O)	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	119.4870	1.273	5	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	B[6,6,6a]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]B[6,6,6a]C[6,6])(H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	H(CC[6,6]H)	C(C[6,6]B[6,6,6a]C[6,6])(H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	H(CC[6,6]H)	120.0115	0.025	2	120.0115	0.001	2	120.0115	0.001	2	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]2)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5x6]N[6]H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]2)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5x6]N[6]H)(CHH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(CC[6,6]H)	120.0150	1.457	2	120.0150	2.122	2	120.0150	2.122	2	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH){1|C<3>,1|C<4>,4|H<1>}	H(CC[6,6]H)	120.0298	0.019	4	120.0298	0.000	4	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]H)	119.9875	0.009	2	119.9739	0.254	10	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	H(CC[6,6]H)	120.0140	0.033	2	119.9739	0.254	10	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	119.9560	0.675	6	119.9739	0.254	10	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]H)	120.0045	0.032	2	119.9998	0.000	6	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	119.9975	0.021	4	119.9998	0.000	6	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	120.1858	0.316	6	120.1858	0.100	6	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6,6]H)	120.0155	0.040	2	119.9986	0.001	8	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]H)	119.9930	0.031	6	119.9986	0.001	8	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(CC[6,6]H)	120.0050	0.011	2	120.0050	0.000	2	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]2O)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]2O)(CHH){2|C<3>,4|H<1>,5|C<4>}	H(CC[6,6]H)	120.0020	0.011	2	120.0020	0.000	2	120.0257	0.081	38	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:N[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]N[3x6])(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]N[3x6])(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH){2|C<4>,8|H<1>}	H(CC[6,6]H)	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C-3:	C(C[6,6]C[4,6,6]2)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6a]H)(C[4,6,6]C[4,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[4,6,6]2)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6a]H)(C[4,6,6]C[4,6]2H)(CHH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[6,6]H)	119.9720	0.024	2	119.9720	0.001	2	119.9720	0.001	2	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	119.9902	0.046	6	119.9902	0.002	6	120.1374	0.217	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	120.3195	0.676	8	120.3195	0.457	8	120.1374	0.217	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[6,6]H)	119.9940	0.019	4	119.9940	0.000	4	120.1374	0.217	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[5,3x6]C[6,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(CC[6,6]H)	120.0225	0.013	2	120.0230	0.000	4	120.0230	0.000	4	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[5,3x6]C[6,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6,6]H)	120.0235	0.036	2	120.0230	0.000	4	120.0230	0.000	4	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[5,5,6,6]C[6,6])(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	H(CC[6,6]H)	C(C[6,6]C[5,5,6,6]C[6,6])(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(CC[6,6]H)	120.0140	0.020	2	120.0140	0.000	2	120.0140	0.000	2	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[5,6,6]C[3x6])(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[5,6,6]C[3x6])(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH){3|C<4>,3|H<1>}	H(CC[6,6]H)	119.9695	0.015	2	119.9695	0.000	2	119.9695	0.000	2	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[5,6,6]C[6,6])(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	H(CC[6,6]H)	C(C[6,6]C[5,6,6]C[6,6])(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	H(CC[6,6]H)	119.9995	0.005	2	119.9995	0.000	2	119.9995	0.000	2	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	H(CC[6,6]H)	120.0260	0.014	2	120.0260	0.000	2	119.5914	1.622	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]H)	116.7610	2.391	2	116.7610	5.719	2	119.5914	1.622	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]H)	119.6317	0.954	4	119.6317	0.909	4	119.5914	1.622	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[6,6]H)	120.1377	0.414	4	120.0737	0.113	6	119.5914	1.622	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){2|H<1>,2|O<2>,3|C<4>}	H(CC[6,6]H)	119.9455	0.046	2	120.0737	0.113	6	119.5914	1.622	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH)	H(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[6,6]H)	120.0255	0.004	4	120.0255	0.000	4	119.5914	1.622	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2O)(CHH)	H(CC[6,6]H)	C(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2O)(CHH){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	H(CC[6,6]H)	118.8738	3.195	8	118.8738	10.207	8	119.5194	4.564	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH)	H(CC[6,6]H)	C(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH){2|H<1>,2|O<1>,4|C<4>}	H(CC[6,6]H)	119.9945	0.031	6	119.9945	0.001	6	119.5194	4.564	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:1:1:	4:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6]2C)2(CHH)	H(CC[6,6]H)	C(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6]2C)2(CHH){2|H<1>,2|O<1>,4|C<4>}	H(CC[6,6]H)	120.0982	0.190	4	120.0982	0.036	4	119.5194	4.564	18	119.8853	1.112	109	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:2:1:	4:3:3:	3:	C[6,6]-3:N-2:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	H(CC[6,6]N)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	H(CC[6,6]N)	117.8555	0.479	6	117.8555	0.229	6	117.8555	0.229	6	118.3251	1.735	7	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:2:1:	4:3:3:	3:	C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6])(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO){5|C<4>}	H(CC[6,6]O)	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	118.3251	1.735	7	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:2:1:	4:4:3:	3:	C[6,6]-3:C-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2)(CN)(H)	C[6,6](C[6,6]C[6]2H)2(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]2)(CN)(H)	C[6,6](C[6,6]C[6]2H)2(CCH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(CC[6,6]C)	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	H(CC[6,6]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[5a])	115.9780	0.164	2	115.9780	0.027	2	115.5564	0.085	10	115.4642	0.494	22	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	H(CC[6,6]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[5a])	115.4510	0.204	8	115.4510	0.041	8	115.5564	0.085	10	115.4642	0.494	22	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[5a]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	H(CC[6,6]C[5a])	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[5a])	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	115.4642	0.494	22	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[6a])	115.2987	0.917	11	115.2987	0.841	11	115.2987	0.841	11	115.4642	0.494	22	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	H(CC[6,6]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[5a])	116.8160	0.000	1	116.8160	0.000	1	116.8160	0.000	1	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	H(CC[6,6]C)	115.4860	0.000	1	115.4860	0.000	1	117.0863	3.575	4	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CC[6,6]C)	116.2860	0.000	1	116.2860	0.000	1	117.0863	3.575	4	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH){2|C<2>,2|C<4>,3|H<1>}	H(CC[6,6]C)	116.7630	0.000	1	116.7630	0.000	1	117.0863	3.575	4	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CC[6a]Te)(H)	C[6,6](C[3x6]C[6,6,6a]2Te)(C[6,6]C[3x6]C[6a])(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CC[6a]Te)(H)	C[6,6](C[3x6]C[6,6,6a]2Te)(C[6,6]C[3x6]C[6a])(CCH){1|H<1>,6|C<3>}	H(CC[6,6]C)	119.8100	0.000	1	119.8100	0.000	1	117.0863	3.575	4	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	H(CC[6,6]C)	115.7450	0.000	1	115.7450	0.000	1	115.3990	0.239	2	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	H(CC[6,6]C)	115.0530	0.000	1	115.0530	0.000	1	115.3990	0.239	2	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[4x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH){2|C<3>,3|C<4>,3|H<1>}	H(CC[6,6]C)	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[6,6]C)	115.7400	0.000	1	115.7400	0.000	1	116.1600	0.353	2	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CC[6,6]C)	116.5800	0.000	1	116.5800	0.000	1	116.1600	0.353	2	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[5a]-3:H-1:	C[6,6]-4:N[3x6]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	H(CC[6,6]C[5a])	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[5a])	116.5577	0.306	4	116.5577	0.093	4	116.5577	0.093	4	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H)	H(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6,6]C[6a])	114.4807	0.044	3	114.4807	0.002	3	114.8710	0.388	5	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	H(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6,6]C[6a])	115.0070	0.000	1	115.4565	0.404	2	114.8710	0.388	5	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	H(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){3|C<4>,3|H<1>}	H(CC[6,6]C[6a])	115.9060	0.000	1	115.4565	0.404	2	114.8710	0.388	5	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	H(CC[6,6]C[6a])	114.5410	0.000	1	114.5410	0.000	1	114.5410	0.000	1	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:N[3x6]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	H(CC[6,6]C[6a])	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:N-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	H(CC[6,6]N)	C(C[6,6]C[4,6,6]C[6,6])(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	H(CC[6,6]N)	117.2947	0.654	4	117.2947	0.428	4	117.2947	0.428	4	116.2028	1.690	25	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:4:3:	3:	C[6,6]-3:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[3x6]2)(COO)(H)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]2)(COO)(H)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6,6]C)	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	117.8100	0.486	5	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:4:3:	3:	C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]C)	117.8130	0.618	2	117.8130	0.382	2	117.8130	0.382	2	117.8100	0.486	5	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:3:1:	4:4:3:	3:	C[6,6]-3:C-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:	C-3:	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(CC[6,6]C)	117.3190	0.356	2	117.3190	0.127	2	117.3190	0.127	2	117.8100	0.486	5	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:4:1:	3:3:3:	3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[3x6]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H)	H(CC[6,6]C[6])	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H){2|C<4>,5|H<1>}	H(CC[6,6]C[6])	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:4:1:	4:4:3:	3:	C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){1|O<1>,2|C<4>,2|H<1>}	H(CC[6,6]C)	116.7470	0.000	1	116.5737	0.024	3	116.9270	0.515	4	116.5750	0.322	12	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:4:1:	4:4:3:	3:	C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	H(CC[6,6]C)	116.4870	0.051	2	116.5737	0.024	3	116.9270	0.515	4	116.5750	0.322	12	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:4:1:	4:4:3:	3:	C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6,6]C)	117.9870	0.000	1	117.9870	0.000	1	116.9270	0.515	4	116.5750	0.322	12	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6,6]	H	3:4:1:	4:4:3:	3:	C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]2)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH){3|C<3>,5|H<1>}	H(CC[6,6]C)	116.3990	0.423	8	116.3990	0.179	8	116.3990	0.179	8	116.5750	0.322	12	118.5461	4.201	191	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	H(CC[6]H)	107.2850	1.681	2	107.2850	2.827	2	107.2850	2.827	2	107.2850	2.827	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	2:4:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH){1|H<1>,1|O<2>,2|C<3>}	H(CC[6]H)	119.0490	3.605	4	119.0490	12.994	4	119.0490	12.994	4	119.0490	12.994	4	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	H(CC[6]H)	108.6185	5.433	2	108.6185	29.514	2	108.6185	29.514	2	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|C<4>,1|N<2>,1|N<3>}	H(CC[6]H)	112.1870	0.330	2	112.9708	14.541	6	112.1917	18.959	14	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|H<1>,2|C<3>}	H(CC[6]H)	113.3628	4.856	4	112.9708	14.541	6	112.1917	18.959	14	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6])(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]H)	108.5830	1.147	2	108.5830	1.315	2	112.1917	18.959	14	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH){1|C<3>,1|C<4>}	H(CC[6]H)	116.8150	6.173	2	112.6155	28.337	6	112.1917	18.959	14	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	H(CC[6]H)	110.5157	4.110	4	112.6155	28.337	6	112.1917	18.959	14	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<1>}	H(CC[6]H)	120.0140	0.000	1	120.0140	0.000	1	120.0140	0.000	1	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-3:	C-3:	C(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CHH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]H)	109.2820	2.024	2	109.2820	4.096	2	109.2820	4.096	2	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	S[6]-3:S[6]-2:C-3:	C-3:	C(C[6]S[6]2)(H)2	C[6](S[6]C[6]O)(S[6]C[6])(CHH)	H(CC[6]H)	C(C[6]S[6]2)(H)2	C[6](S[6]C[6]O)(S[6]C[6])(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	120.0240	0.034	2	120.0240	0.001	2	120.0240	0.001	2	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)(O)	C[6](C[6]C[6]H)(N[6]C[6])(CHO)	H(CC[6]O)	C(C[6]C[6]N[6])(H)(O)	C[6](C[6]C[6]H)(N[6]C[6])(CHO){1|H<1>,2|C<3>}	H(CC[6]O)	110.9200	3.234	2	110.9200	10.461	2	110.9200	10.461	2	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CHO)	H(CC[6]O)	C(C[6]C[6]O[6])(H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CHO){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]O)	117.5630	0.000	1	117.5630	0.000	1	117.5630	0.000	1	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(H)(O)	C[6](C[6]C[6]O)(S[6]C[6])(CHO)	H(CC[6]O)	C(C[6]C[6]S[6])(H)(O)	C[6](C[6]C[6]O)(S[6]C[6])(CHO){1|C<3>,1|H<1>,1|S<2>}	H(CC[6]O)	115.3080	0.000	1	115.3080	0.000	1	115.3080	0.000	1	112.8503	22.827	25	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	H(CC[6]H)	C(C[6]C[5a,6]2)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	H(CC[6]H)	119.9943	0.048	12	119.9943	0.002	12	119.9943	0.002	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6]H)	116.9905	7.280	2	116.9905	52.994	2	116.9905	52.994	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]H)	112.1265	3.746	2	112.1265	14.029	2	116.0648	25.356	4	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH){1|Se<2>,1|H<1>,3|C<3>}	H(CC[6]H)	120.0030	0.008	2	120.0030	0.000	2	116.0648	25.356	4	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6]H)	119.9925	0.011	2	119.9925	0.000	2	119.9925	0.000	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]H)	110.7400	1.510	2	110.4708	1.102	4	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|P<4>}	H(CC[6]H)	110.2015	0.858	2	110.4708	1.102	4	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6]H)	110.7040	8.791	2	110.7040	77.277	2	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]H)	115.7130	6.702	2	115.7130	44.916	2	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	H(CC[6]H)	122.1270	3.381	2	122.1270	11.434	2	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	H(CC[6]H)	119.5375	5.433	2	119.5375	29.514	2	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	H(CC[6]H)	119.9923	0.036	3	119.9923	0.001	3	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH){1|Sm<12>,1|C<3>,1|H<1>}	H(CC[6]H)	111.3330	0.720	2	111.3330	0.518	2	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	H(CC[6]H)	108.0703	4.347	4	108.0703	18.901	4	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]H)	112.9897	5.416	6	113.3749	22.656	8	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]H)	114.5305	2.897	2	113.3749	22.656	8	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]H)	111.4270	2.495	2	109.6622	15.337	10	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|P<3>}	H(CC[6]H)	111.9832	4.569	4	109.6622	15.337	10	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>}	H(CC[6]H)	106.7600	0.027	2	109.6622	15.337	10	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<4>,2|C<3>}	H(CC[6]H)	106.1575	0.015	2	109.6622	15.337	10	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH){2|C<3>}	H(CC[6]H)	108.2995	0.493	2	108.2995	0.243	2	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|N<4>}	H(CC[6]H)	111.3330	3.630	2	111.5299	72.365	66	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<3>}	H(CC[6]H)	113.7403	7.167	4	111.5299	72.365	66	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]H)	110.1215	1.742	2	111.5299	72.365	66	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6]H)	113.4470	4.566	2	111.5299	72.365	66	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	H(CC[6]H)	116.1811	5.591	10	111.5299	72.365	66	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	H(CC[6]H)	110.3130	9.328	46	111.5299	72.365	66	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]Mo)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]Mo)(C[6]C[6]H)(CHH){1|C<4>,2|C<3>}	H(CC[6]H)	111.7510	9.475	4	111.7510	89.774	4	111.9024	56.526	111	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(CC[6]H)	112.8345	1.406	2	112.8345	1.978	2	116.7753	20.649	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	H(CC[6]H)	109.2495	3.133	2	109.2495	9.817	2	116.7753	20.649	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[6]H)	120.0160	0.004	2	120.0160	0.000	2	116.7753	20.649	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<4>,1|C<5>}	H(CC[6]H)	118.5140	1.360	2	119.2900	1.423	4	116.7753	20.649	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<5>,1|H<1>}	H(CC[6]H)	120.0660	0.103	2	119.2900	1.423	4	116.7753	20.649	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	H(CC[6]H)	119.9715	0.052	2	119.9715	0.003	2	116.7753	20.649	12	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]H)	107.1782	0.565	4	107.1782	0.319	4	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6]H)	109.6270	0.192	2	109.6270	0.037	2	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	H(CC[6]H)	120.0170	0.000	1	119.9869	0.002	7	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6]H)	120.0020	0.050	4	119.9869	0.002	7	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]H)	119.9415	0.018	2	119.9869	0.002	7	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	H(CC[6]H)	120.0203	0.066	4	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]H)	120.0315	0.018	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	H(CC[6]H)	119.9940	0.024	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]H)	119.9932	0.029	6	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]H)	119.9976	0.015	5	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CC[6]H)	120.0063	0.090	3	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	H(CC[6]H)	120.0125	0.045	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]H)	120.0190	0.038	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	H(CC[6]H)	120.0045	0.006	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	H(CC[6]H)	119.9890	0.000	1	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	H(CC[6]H)	119.9940	0.024	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	H(CC[6]H)	120.0090	0.035	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	H(CC[6]H)	120.0108	0.045	4	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	H(CC[6]H)	119.9715	0.008	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6]H)	119.9825	0.078	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]H)	120.0340	0.000	1	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]H)	119.9600	0.000	1	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]H)	119.9850	0.025	4	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6]H)	119.9720	0.045	2	119.9999	0.001	49	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	H(CC[6]H)	119.9890	0.096	2	119.9890	0.009	2	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	H(CC[6]H)	120.0085	0.035	4	120.2894	1.614	9	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	H(CC[6]H)	120.0100	0.000	1	120.2894	1.614	9	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	H(CC[6]H)	119.9925	0.036	2	120.2894	1.614	9	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	H(CC[6]H)	121.2880	3.216	2	120.2894	1.614	9	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	H(CC[6]H)	120.0205	0.009	2	120.0205	0.000	2	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH){1|Br<2>,1|Li<5>,1|C<3>,1|N<3>,1|N<4>,2|C<4>}	H(CC[6]H)	119.9690	0.025	2	119.9690	0.001	2	119.0965	10.851	77	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	C-3:	C(C[6]N[6]2)(H)2	C[6](N[6]C[6a]C[6])2(CHH)	H(CC[6]H)	C(C[6]N[6]2)(H)2	C[6](N[6]C[6a]C[6])2(CHH){1|C<4>,2|O<1>,4|C<3>}	H(CC[6]H)	120.0010	0.083	2	120.0010	0.007	2	120.0010	0.007	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	P[6]-3:P[6]-3:C-3:	C-3:	C(C[6]P[6]2)(H)2	C[6](P[6]P[6]Sn)(P[6]P[6]C)(CHH)	H(CC[6]H)	C(C[6]P[6]2)(H)2	C[6](P[6]P[6]Sn)(P[6]P[6]C)(CHH){1|Sn<4>,1|C<3>,1|C<4>}	H(CC[6]H)	119.9965	0.071	2	119.9965	0.005	2	119.9965	0.005	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(H)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(CHO)	H(CC[6]O)	C(C[6]C[5a,6]2)(H)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(CHO){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]O)	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6,6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]O)	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(H)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO)	H(CC[6]O)	C(C[6]C[6,6a]2)(H)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO){1|H<1>,1|N<3>,5|C<3>}	H(CC[6]O)	117.6105	0.258	2	117.6105	0.067	2	117.6105	0.067	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]O)	118.9250	0.000	1	118.9250	0.000	1	117.7630	2.700	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO)	H(CC[6]O)	C(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO){1|H<1>,5|C<3>}	H(CC[6]O)	116.6010	0.000	1	116.6010	0.000	1	117.7630	2.700	2	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	H(CC[6]O)	113.7750	0.000	2	113.7750	0.000	2	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){1|C<3>,2|C<4>}	H(CC[6]O)	116.9315	0.120	2	117.1343	0.131	3	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){2|Br<1>,1|C<3>}	H(CC[6]O)	117.5400	0.000	1	117.1343	0.131	3	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]O)	118.3610	0.000	1	118.4886	0.597	5	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Re<6>,1|C<3>,1|H<1>}	H(CC[6]O)	119.2700	0.346	2	118.4886	0.597	5	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Zn<4>,1|C<3>,1|H<1>}	H(CC[6]O)	117.7710	0.051	2	118.4886	0.597	5	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]O)	119.1180	0.000	1	122.7533	12.240	3	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6]O)	126.0970	0.000	1	122.7533	12.240	3	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|N<3>,2|H<1>}	H(CC[6]O)	123.0450	0.000	1	122.7533	12.240	3	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]N)2(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]O)	117.6135	0.050	2	117.6135	0.003	2	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	H(CC[6]O)	117.1430	0.000	1	117.1430	0.000	1	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]Pd)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]Pd)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]O)	117.5880	0.000	1	117.5880	0.000	1	118.2126	8.406	17	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	N[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(H)(O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO)	H(CC[6]O)	C(C[6]N[5,6]C[6])(H)(O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO){6|C<3>}	H(CC[6]O)	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:O-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]N[6])(H)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHO){1|C<3>,2|H<1>}	H(CC[6]O)	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	115.6333	42.383	249	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH)	H(CC[6]Br)	C(C[6]C[6,6a]C[6])(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[6]Br)	118.2016	0.411	5	118.2016	0.169	5	118.2016	0.169	5	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	119.9905	0.013	2	119.9905	0.000	2	119.9905	0.000	2	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	H(CC[6]H)	120.0080	0.054	2	120.0825	0.283	4	120.0525	0.172	6	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){2|C<3>,2|H<1>,3|C<4>}	H(CC[6]H)	120.1570	0.908	2	120.0825	0.283	4	120.0525	0.172	6	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	H(CC[6]H)	119.9925	0.008	2	119.9925	0.000	2	120.0525	0.172	6	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(CC[6]H)	119.9895	0.033	2	119.9895	0.001	2	121.4558	3.391	26	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(CC[6]H)	125.0375	1.391	2	125.0375	1.935	2	121.4558	3.391	26	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6]H)	121.3888	1.600	20	121.2635	2.480	22	121.4558	3.391	26	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0105	0.011	2	121.2635	2.480	22	121.4558	3.391	26	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(CC[6]H)	119.9865	0.043	2	119.9865	0.002	2	119.9865	0.002	2	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]H)	120.0670	0.416	2	120.0222	0.061	4	119.1171	6.362	14	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6]H)	119.9775	0.054	2	120.0222	0.061	4	119.1171	6.362	14	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH){1|H<1>,6|C<3>}	H(CC[6]H)	120.0225	0.060	4	120.0225	0.004	4	119.1171	6.362	14	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]H)	120.0210	0.027	2	120.0210	0.001	2	119.1171	6.362	14	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH){1|H<1>,3|C<3>}	H(CC[6]H)	120.3210	2.372	2	120.3210	5.625	2	119.1171	6.362	14	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]H)	113.3880	0.386	2	113.3880	0.149	2	119.1171	6.362	14	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH){1|H<1>,1|S<4>,5|C<4>}	H(CC[6]H)	119.9740	0.007	2	119.9740	0.000	2	120.0018	0.001	10	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	120.0225	0.030	2	120.0225	0.001	2	120.0018	0.001	10	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>}	H(CC[6]H)	120.0250	0.013	2	120.0250	0.000	2	120.0018	0.001	10	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>}	H(CC[6]H)	120.0015	0.009	2	120.0015	0.000	2	120.0018	0.001	10	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH){2|C<3>,2|C<4>}	H(CC[6]H)	119.9860	0.023	2	119.9860	0.001	2	120.0018	0.001	10	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	H(CC[6]H)	C(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6]H)	119.9835	0.009	2	119.9835	0.000	2	119.9835	0.000	2	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH){1|O<1>,2|C<3>,3|C<4>}	H(CC[6]H)	119.9910	0.017	2	119.9910	0.000	2	119.9722	1.405	5	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	H(CC[6]H)	119.9810	0.000	1	119.9810	0.000	1	119.9722	1.405	5	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6]H)	119.9490	2.370	2	119.9490	5.618	2	119.9722	1.405	5	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:I-1:	N[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]N[6,6]C[6])(H)(I)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	H(CC[6]I)	C(C[6]N[6,6]C[6])(H)(I)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	H(CC[6]I)	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-3:C[6,6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6,6])(H)(O)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6,6])(H)(O)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO){3|C<3>,3|C<4>,3|H<1>}	H(CC[6]O)	117.4240	0.000	1	117.4240	0.000	1	117.4240	0.000	1	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(CC[6]O)	118.3730	0.000	1	118.3730	0.000	1	118.7435	0.275	2	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6]O)	119.1140	0.000	1	119.1140	0.000	1	118.7435	0.275	2	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]O)	116.1715	0.019	2	116.1715	0.000	2	116.1715	0.000	2	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO){2|C<4>,3|H<1>}	H(CC[6]O)	117.7750	0.000	1	117.7750	0.000	1	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO){4|C<3>}	H(CC[6]O)	117.6650	0.327	2	117.6650	0.107	2	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO){1|H<1>,3|C<3>}	H(CC[6]O)	114.3560	0.000	1	114.3560	0.000	1	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO){1|S<4>,2|C<3>}	H(CC[6]O)	118.2590	0.000	1	118.2590	0.000	1	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO){2|C<3>}	H(CC[6]O)	117.8300	0.000	1	117.8300	0.000	1	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	H(CC[6]O)	118.2660	0.000	1	118.2660	0.000	1	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:O-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	H(CC[6]O)	117.4780	0.000	1	117.4780	0.000	1	117.4117	1.619	8	119.7830	4.240	86	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[3,6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[3,6]O[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	H(CC[6]H)	C(C[6]C[3,6]O[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	H(CC[6]H)	120.0055	0.043	2	120.0055	0.002	2	120.0055	0.002	2	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	107.6575	1.005	4	107.6575	1.010	4	107.6575	1.010	4	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6]H)	119.9794	0.043	5	119.9794	0.002	5	119.9856	0.001	16	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]H)	119.9880	0.024	3	119.9880	0.001	3	119.9856	0.001	16	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH){1|H<1>,2|C<3>,2|O<1>,2|O<2>}	H(CC[6]H)	120.0065	0.037	2	120.0065	0.001	2	119.9856	0.001	16	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH){1|N<3>,1|O<2>,4|C<3>}	H(CC[6]H)	120.0050	0.064	2	120.0050	0.004	2	119.9856	0.001	16	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH)	H(CC[6]H)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH){1|C<4>,4|C<3>}	H(CC[6]H)	119.9715	0.031	4	119.9715	0.001	4	119.9856	0.001	16	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(H)2	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH)	H(CC[6]H)	C(C[6]C[6]S[6])(H)2	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	H(CC[6]H)	120.0430	0.021	2	120.0430	0.000	2	120.0410	0.002	4	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH)	H(CC[6]H)	C(C[6]C[6]S[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH){1|C<3>,1|S<2>}	H(CC[6]H)	120.0390	0.065	2	120.0390	0.004	2	120.0410	0.002	4	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:I-1:	C[6]-4:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(H)(I)	C[6](C[6]C[6]HH)(S[6]C[6])(CHI)	H(CC[6]I)	C(C[6]C[6]S[6])(H)(I)	C[6](C[6]C[6]HH)(S[6]C[6])(CHI){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6]I)	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	118.0930	19.942	27	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(Br)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH)	H(CC[6]Br)	C(C[6]C[6]2)(Br)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH){1|C<4>,2|H<1>}	H(CC[6]Br)	115.8315	0.220	2	115.8315	0.048	2	115.8315	0.048	2	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	H(CC[6]H)	114.6830	3.021	2	114.6830	9.125	2	114.6830	9.125	2	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[3,6]N[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	H(CC[6]H)	C(C[6]C[3,6]N[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	H(CC[6]H)	120.0045	0.009	2	120.0045	0.000	2	120.0045	0.000	2	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5,5,6,6]C[5a,6])(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	H(CC[6]H)	C(C[6]C[5,5,6,6]C[5a,6])(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(CC[6]H)	120.0110	0.024	2	120.0110	0.001	2	120.0110	0.001	2	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	H(CC[6]H)	C(C[6]C[6,6a]C[5,6])(H)2	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	H(CC[6]H)	119.9995	0.026	2	119.9995	0.001	2	119.9995	0.001	2	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6]H)	115.3060	0.472	2	115.3060	0.223	2	118.8261	4.753	8	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]H)	119.9880	0.026	4	119.9880	0.001	4	118.8261	4.753	8	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[6]H)	120.0225	0.005	2	120.0225	0.000	2	118.8261	4.753	8	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[6]H)	120.2955	0.186	2	120.2955	0.035	2	120.2955	0.035	2	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0060	0.025	3	120.0060	0.001	3	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6]H)	120.0006	0.024	8	120.0006	0.001	8	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]H)	119.9870	0.011	2	119.9870	0.000	2	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]H)	120.0186	0.039	7	120.0186	0.002	7	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]H)	119.9890	0.004	2	119.9890	0.000	2	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[6]H)	119.9670	0.024	2	119.9670	0.001	2	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH){2|C<4>,2|H<1>}	H(CC[6]H)	119.9975	0.035	2	119.9975	0.001	2	120.0013	0.001	26	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH){1|H<1>,3|C<4>}	H(CC[6]H)	120.0220	0.004	2	120.0220	0.000	2	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]H)	120.6110	2.168	2	120.6110	4.700	2	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){1|O<2>,2|C<4>}	H(CC[6]H)	122.9270	0.344	2	121.1962	5.071	6	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){3|C<4>}	H(CC[6]H)	120.3307	2.327	4	121.1962	5.071	6	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	H(CC[6]H)	119.9805	0.020	4	119.9805	0.000	4	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	H(CC[6]H)	119.9873	0.146	4	119.9873	0.021	4	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,3|C<3>}	H(CC[6]H)	119.0300	0.809	2	119.9324	0.099	26	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	H(CC[6]H)	120.0080	0.054	22	119.9324	0.099	26	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|N<3>,4|H<1>}	H(CC[6]H)	120.0035	0.023	2	119.9324	0.099	26	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH){1|C<4>,3|H<1>}	H(CC[6]H)	120.0285	0.016	2	120.0285	0.000	2	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CHH){1|C<2>,1|H<1>}	H(CC[6]H)	112.3515	0.100	2	112.3515	0.010	2	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH){1|C<2>,1|C<4>,4|C<3>}	H(CC[6]H)	119.9860	0.017	2	119.9860	0.000	2	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH){2|C<4>,2|H<1>}	H(CC[6]H)	119.9560	0.028	2	119.9560	0.001	2	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]H)	119.9923	0.028	3	119.9923	0.001	3	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH){1|S<4>,2|C<4>}	H(CC[6]H)	119.6492	1.074	4	119.6492	1.153	4	119.8267	2.780	59	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]H)	119.9305	1.607	2	119.9305	2.583	2	120.5748	5.534	13	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]H)	120.0090	0.016	2	120.0090	0.000	2	120.5748	5.534	13	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]H)	121.1760	0.463	4	121.1760	0.214	4	120.5748	5.534	13	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]H)	121.4550	7.596	2	121.4550	57.695	2	120.5748	5.534	13	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	H(CC[6]H)	119.9933	0.015	3	119.9933	0.000	3	120.5748	5.534	13	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:I-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	H(CC[6]I)	C(C[6]C[6]2)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	H(CC[6]I)	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[4,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[4,6]C[6])(H)(O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO)	H(CC[6]O)	C(C[6]C[4,6]C[6])(H)(O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO){1|O<2>,2|H<1>,4|C<4>}	H(CC[6]O)	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	H(CC[6]O)	117.8360	0.000	1	117.8360	0.000	1	117.5368	0.176	6	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]O)	116.9950	0.000	1	116.9950	0.000	1	117.5368	0.176	6	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	H(CC[6]O)	117.8760	0.000	1	117.8760	0.000	1	117.5368	0.176	6	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	H(CC[6]O)	117.9940	0.000	1	117.9940	0.000	1	117.5368	0.176	6	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]O)	117.2600	0.137	2	117.2600	0.019	2	117.5368	0.176	6	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO){4|C<4>,4|H<1>}	H(CC[6]O)	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,4|C<3>}	H(CC[6]O)	117.8915	0.454	4	117.8915	0.206	4	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	H(CC[6]O)	118.0950	0.540	4	118.0950	0.291	4	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(CC[6]O)	112.8080	0.000	1	115.3140	12.560	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]O)	117.8200	0.000	1	115.3140	12.560	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO){2|H<1>,3|C<4>}	H(CC[6]O)	118.3055	0.070	2	118.3055	0.005	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO){5|C<4>}	H(CC[6]O)	119.9170	1.295	2	119.9170	1.678	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO){1|H<1>,3|C<4>}	H(CC[6]O)	117.6823	0.284	3	117.6823	0.080	3	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO){4|C<3>}	H(CC[6]O)	118.7720	0.000	1	118.7720	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO){5|C<3>}	H(CC[6]O)	117.4310	0.000	1	117.4310	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	H(CC[6]O)	118.6630	0.000	1	118.6630	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]O)	117.3815	0.465	2	117.3815	0.216	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]O)	117.6960	0.437	2	117.6960	0.191	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO){1|C<4>,1|N<3>,3|H<1>}	H(CC[6]O)	118.2750	0.000	1	118.2750	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<2>,1|C<4>,2|C<3>}	H(CC[6]O)	117.8540	0.000	1	117.8540	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]O)	113.6270	0.000	1	115.6785	8.417	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,4|H<1>}	H(CC[6]O)	117.7300	0.000	1	115.6785	8.417	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO){1|C<4>,1|H<1>,1|O<2>}	H(CC[6]O)	117.6410	0.016	2	117.6410	0.000	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]O)	117.4660	0.000	1	117.4660	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]O)	117.7370	0.000	1	117.4891	0.504	7	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	H(CC[6]O)	116.7627	0.147	3	117.4891	0.504	7	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]O)	118.1330	0.216	3	117.4891	0.504	7	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]O)	117.9800	0.000	1	117.9800	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(CC[6]O)	117.7260	0.000	1	117.7260	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	H(CC[6]O)	118.4130	0.000	1	118.3575	0.006	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	H(CC[6]O)	118.3020	0.000	1	118.3575	0.006	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO){1|N<2>,4|C<3>}	H(CC[6]O)	117.4090	0.000	1	117.4090	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,5|C<3>}	H(CC[6]O)	118.6110	0.000	1	118.6110	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,3|C<3>}	H(CC[6]O)	119.3710	0.000	1	119.3710	0.000	1	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|S<4>}	H(CC[6]O)	117.9590	0.024	2	117.9590	0.001	2	117.7761	1.440	47	119.0939	3.432	174	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:Br-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,5,6]C[6])(Br)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH)	H(CC[6]Br)	C(C[6]C[5,5,6]C[6])(Br)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH){2|C<3>,3|C<4>,5|H<1>}	H(CC[6]Br)	116.3475	0.370	2	116.3475	0.137	2	116.3475	0.137	2	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:Cl-1:H-1:	C[3,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[3,6]C[6])(Cl)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	H(CC[6]Cl)	C(C[6]C[3,6]C[6])(Cl)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Br<1>,1|C<4>,3|H<1>}	H(CC[6]Cl)	118.5460	0.000	1	121.0413	17.508	3	121.0413	17.508	3	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:Cl-1:H-1:	C[3,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[3,6]C[6])(Cl)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	H(CC[6]Cl)	C(C[6]C[3,6]C[6])(Cl)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Cl<1>,1|C<4>,3|H<1>}	H(CC[6]Cl)	122.2890	5.067	2	121.0413	17.508	3	121.0413	17.508	3	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[3,6,6]C[6])(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH)	H(CC[6]H)	C(C[6]C[3,6,6]C[6])(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	H(CC[6]H)	119.9800	0.034	2	119.9800	0.001	2	119.9800	0.001	2	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6]C[3,6]C[6,6])(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH)	H(CC[6]H)	C(C[6]C[3,6]C[6,6])(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[6]H)	119.9790	0.029	6	119.9790	0.001	6	119.9790	0.001	6	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[4,6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[4,6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH){3|C<3>,3|C<4>}	H(CC[6]H)	120.0005	0.009	2	120.0005	0.000	2	120.0005	0.000	2	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6]C[5,6,6]C[6,6])(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]3)(CHH)	H(CC[6]H)	C(C[6]C[5,6,6]C[6,6])(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]3)(CHH){2|O<2>,5|H<1>,8|C<4>}	H(CC[6]H)	120.0155	0.028	2	120.0155	0.001	2	120.0155	0.001	2	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6,6]C[6])(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6,6]C[6])(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH){4|H<1>,5|C<4>}	H(CC[6]H)	119.9990	0.007	2	119.9990	0.000	2	119.9990	0.000	2	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH){3|H<1>,5|C<4>}	H(CC[6]H)	119.9825	0.013	2	119.9825	0.000	2	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(CC[6]H)	120.9520	2.997	4	120.9520	8.982	4	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(CC[6]H)	120.0185	0.083	2	120.0158	0.002	6	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>,3|O<2>}	H(CC[6]H)	120.0145	0.035	4	120.0158	0.002	6	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH){1|N<3>,3|C<4>,4|H<1>}	H(CC[6]H)	120.9615	0.353	2	120.9615	0.125	2	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]H)	120.0080	0.034	2	120.0104	0.001	8	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]H)	119.9965	0.019	2	120.0104	0.001	8	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(CC[6]H)	120.0065	0.060	2	120.0104	0.001	8	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>,3|H<1>}	H(CC[6]H)	120.0305	0.042	2	120.0104	0.001	8	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH){2|C<3>,2|H<1>,4|C<4>}	H(CC[6]H)	120.0080	0.035	2	120.0080	0.001	2	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CC[6]H)	119.9875	0.033	4	119.9886	0.001	5	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]H)	119.9930	0.000	1	119.9886	0.001	5	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]H)	120.0205	0.060	2	120.0008	0.004	6	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]H)	119.9910	0.071	4	120.0008	0.004	6	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]H)	120.0070	0.110	2	120.4820	1.071	21	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6]H)	119.9862	0.025	4	120.4820	1.071	21	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]H)	120.7241	1.207	14	120.4820	1.071	21	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(CC[6]H)	120.0250	0.000	1	120.4820	1.071	21	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH){2|O<2>,3|C<4>,3|H<1>}	H(CC[6]H)	119.9950	0.011	2	119.9950	0.000	2	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH){1|S<4>,3|C<4>,3|H<1>}	H(CC[6]H)	120.0270	0.007	2	120.0270	0.000	2	120.2667	0.926	60	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6]C[6,6]2)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH)	H(CC[6]H)	C(C[6]C[6,6]2)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH){5|H<1>,6|C<4>}	H(CC[6]H)	119.9670	0.020	2	119.9670	0.000	2	119.9940	0.001	4	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[6]C[6,6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH)	H(CC[6]H)	C(C[6]C[6,6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(CC[6]H)	120.0210	0.011	2	120.0210	0.000	2	119.9940	0.001	4	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH){4|C<4>,4|H<1>}	H(CC[6]H)	120.0300	0.072	2	120.0300	0.005	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]H)	120.0080	0.025	2	119.9947	0.002	4	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(CC[6]H)	119.9815	0.077	2	119.9947	0.002	4	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH){1|P<4>,2|H<1>,5|C<4>}	H(CC[6]H)	119.9580	0.007	2	119.9580	0.000	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]H)	120.0035	0.025	4	120.0601	0.022	8	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(CC[6]H)	120.0325	0.012	2	120.0601	0.022	8	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(CC[6]H)	120.2010	0.314	2	120.0601	0.022	8	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(CC[6]H)	119.9625	0.012	2	119.9625	0.000	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]H)	119.9990	0.000	1	119.9990	0.000	1	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]H)	119.9588	0.034	4	119.9688	0.001	5	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){2|C<4>,3|C<3>,3|H<1>}	H(CC[6]H)	120.0090	0.000	1	119.9688	0.001	5	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[6]H)	120.0160	0.021	2	120.0080	0.000	6	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]H)	120.0040	0.022	4	120.0080	0.000	6	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH){3|C<4>,5|H<1>}	H(CC[6]H)	120.0045	0.008	2	120.0045	0.000	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){1|N<2>,3|C<4>,3|H<1>}	H(CC[6]H)	119.9775	0.066	2	120.0211	5.830	32	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(CC[6]H)	120.0240	2.496	30	120.0211	5.830	32	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH){3|C<4>,5|H<1>}	H(CC[6]H)	119.9988	0.050	6	119.9988	0.003	6	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]H)	119.9780	0.007	2	119.9780	0.000	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH){2|C<3>,2|C<4>,4|H<1>}	H(CC[6]H)	120.0075	0.070	2	120.0075	0.005	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(CC[6]H)	120.7900	0.704	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(CC[6]H)	119.9920	0.096	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]H)	121.8360	1.568	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]H)	120.0010	0.031	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(CC[6]H)	119.9955	0.042	4	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	H(CC[6]H)	120.0030	0.013	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]H)	119.8500	6.290	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|N<3>,3|H<1>,4|C<4>}	H(CC[6]H)	120.0300	0.034	3	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6]H)	119.9835	0.029	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]H)	119.9935	0.036	4	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]H)	120.0305	0.011	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>,4|C<4>}	H(CC[6]H)	119.9865	0.043	2	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(CC[6]H)	120.0245	0.027	4	120.1542	1.557	33	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(CC[6]H)	120.0170	0.023	2	119.9983	0.001	16	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	H(CC[6]H)	119.9956	0.027	14	119.9983	0.001	16	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0252	0.043	4	120.0252	0.002	4	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(CC[6]H)	120.0090	0.029	9	120.0090	0.001	9	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]H)	120.0520	0.069	2	120.0520	0.005	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH){3|C<4>,3|H<1>}	H(CC[6]H)	119.3912	2.196	4	119.3912	4.824	4	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]H)	119.9845	0.032	2	119.9845	0.001	2	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(CC[6]H)	119.9850	0.020	8	119.9850	0.000	8	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(CC[6]H)	120.0039	0.049	8	119.9888	0.002	17	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){5|C<4>,6|H<1>}	H(CC[6]H)	119.9753	0.046	9	119.9888	0.002	17	120.0205	1.473	169	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	119.9875	0.042	2	119.9875	0.002	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0595	0.254	2	120.0595	0.064	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]H)	119.9980	0.000	1	119.9980	0.000	1	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	119.9680	0.023	2	119.9680	0.001	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	119.9830	0.035	2	119.9830	0.001	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH){1|C<4>,1|H<1>,1|O<2>}	H(CC[6]H)	120.0320	0.033	2	120.0320	0.001	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0045	0.028	2	119.9932	0.001	5	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	H(CC[6]H)	119.9857	0.038	3	119.9932	0.001	5	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH){1|N<3>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0315	0.016	2	120.0315	0.000	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0085	0.013	2	120.0085	0.000	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]H)	121.1525	2.746	2	121.1525	7.539	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]H)	122.0027	4.560	8	122.0027	20.793	8	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[6]H)	120.0155	0.110	2	120.0155	0.012	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	H(CC[6]H)	119.9940	0.013	2	119.9940	0.000	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0175	0.037	2	120.0175	0.001	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	H(CC[6]H)	119.9968	0.022	4	119.8526	9.452	62	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	119.8426	3.180	58	119.8526	9.452	62	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	116.1475	1.240	2	116.1475	1.537	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0055	0.008	2	120.0055	0.000	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<2>,2|C<4>,2|H<1>}	H(CC[6]H)	120.0195	0.008	2	120.1570	0.255	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	H(CC[6]H)	119.9880	0.044	6	120.1570	0.255	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]H)	120.8015	1.117	2	120.1570	0.255	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>}	H(CC[6]H)	119.9924	0.041	9	119.9924	0.002	9	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)2(CHH){1|C<4>,4|C<3>}	H(CC[6]H)	120.0120	0.054	2	120.0015	0.003	4	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)2(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	119.9910	0.078	2	120.0015	0.003	4	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]H)	122.2025	0.298	2	122.2025	0.089	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]H)	119.9865	0.012	2	119.9901	0.001	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<4>,4|H<1>}	H(CC[6]H)	119.9800	0.051	2	119.9901	0.001	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|Cl<1>,1|H<1>,3|C<3>}	H(CC[6]H)	120.0035	0.009	2	119.9901	0.001	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|C<3>,3|H<1>}	H(CC[6]H)	119.9905	0.040	2	119.9901	0.001	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	119.9900	0.033	2	119.9901	0.001	10	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|C<4>,3|H<1>}	H(CC[6]H)	120.0630	0.791	2	120.0087	0.095	12	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	119.9978	0.215	10	120.0087	0.095	12	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]H)	119.9995	0.059	2	119.9995	0.003	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	H(CC[6]H)	120.2895	0.702	6	120.2895	0.493	6	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|O<2>}	H(CC[6]H)	121.2040	0.187	2	121.2040	0.035	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6]H)	119.9730	0.091	2	119.9873	0.003	4	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){4|C<3>}	H(CC[6]H)	120.0015	0.009	2	119.9873	0.003	4	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH){1|N<2>,2|C<3>}	H(CC[6]H)	120.7785	0.760	2	120.7785	0.578	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6]H)	120.0355	0.023	2	120.1157	2.627	6	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	H(CC[6]H)	120.1557	2.091	4	120.1157	2.627	6	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]H)	119.9740	0.000	1	120.0053	0.033	11	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]H)	120.0045	0.100	2	120.0053	0.033	11	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH){1|C<4>,4|H<1>}	H(CC[6]H)	120.0062	0.322	4	120.0053	0.033	11	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(CHH){2|C<4>,3|H<1>}	H(CC[6]H)	120.0125	0.046	4	120.0053	0.033	11	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[6]H)	120.0295	0.021	2	120.0295	0.000	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]H)	120.0062	0.020	5	120.0062	0.000	5	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	H(CC[6]H)	119.9890	0.000	1	119.9890	0.000	1	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]H)	118.6575	0.603	2	118.6575	0.364	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]H)	119.9900	0.033	2	119.9900	0.001	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)2(CHH){1|C<4>,2|S<4>}	H(CC[6]H)	120.8355	5.793	2	120.8355	33.563	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:1:1:	4:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(H)2	C[6](C[6]O[6]HH)2(CHH)	H(CC[6]H)	C(C[6]C[6]2)(H)2	C[6](C[6]O[6]HH)2(CHH){1|C<4>}	H(CC[6]H)	119.4165	0.173	2	119.4165	0.030	2	120.0598	4.420	198	120.0600	2.765	450	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:C-2:H-1:	C[6,6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH)	H(CC[6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH){1|S<2>,2|H<1>,3|C<3>}	H(CC[6]C)	125.1600	0.000	1	125.1600	0.000	1	120.3702	14.068	5	120.9230	13.088	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:C-2:H-1:	C[6,6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	114.7830	0.000	1	119.1728	9.198	4	120.3702	14.068	5	120.9230	13.088	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:C-2:H-1:	C[6,6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	H(CC[6]C)	120.6360	0.975	3	119.1728	9.198	4	120.3702	14.068	5	120.9230	13.088	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	123.6870	0.000	1	123.6870	0.000	1	123.6870	0.000	1	120.9230	13.088	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:C-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	124.5120	0.000	1	124.5120	0.000	1	125.5380	2.105	2	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:C-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	126.5640	0.000	1	126.5640	0.000	1	125.5380	2.105	2	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:C-2:H-1:	N[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(CN)(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	H(CC[6]C)	C(C[6]N[5,6]C[6])(CN)(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){1|C<4>,2|H<1>,5|C<3>}	H(CC[6]C)	116.3535	0.032	2	116.2897	0.013	3	116.2897	0.013	3	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:C-2:H-1:	N[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(CN)(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	H(CC[6]C)	C(C[6]N[5,6]C[6])(CN)(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){2|C<4>,2|H<1>,4|C<3>}	H(CC[6]C)	116.1620	0.000	1	116.2897	0.013	3	116.2897	0.013	3	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(NC[6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	H(CC[6]N)	C(C[6]C[6,6a]2)(NC[6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	H(CC[6]N)	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	H(CC[6]N)	117.8433	0.154	3	117.8433	0.024	3	119.9745	1.604	13	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]N)	120.6138	0.407	10	120.6138	0.166	10	119.9745	1.604	13	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	119.1190	0.055	2	116.1973	11.579	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	H(CC[6]N)	111.9385	0.460	2	116.1973	11.579	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	117.1395	3.676	2	116.1973	11.579	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6]N)	116.9870	0.000	1	116.1973	11.579	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.2780	0.000	1	118.2780	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[5])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	H(CC[6]N)	120.0720	0.000	1	120.0720	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[5a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	H(CC[6]N)	120.5220	0.000	1	120.5220	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	104.4130	0.000	1	104.4130	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	115.9540	0.000	1	115.9540	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	118.2550	0.000	1	118.8225	0.644	2	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]N)	119.3900	0.000	1	118.8225	0.644	2	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]N)	118.2070	0.000	1	116.8056	5.435	9	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	116.4932	2.505	5	116.8056	5.435	9	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	118.2760	0.000	1	116.8056	5.435	9	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	H(CC[6]N)	116.1505	3.593	2	116.8056	5.435	9	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	H(CC[6]N)	119.2784	1.409	7	119.2784	1.985	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	H(CC[6]N)	119.2196	1.114	5	119.2196	1.242	5	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.4920	0.000	1	120.4920	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]N)	120.7550	0.000	1	120.7550	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]Cl)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.4840	0.035	2	118.4840	0.001	2	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.6490	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Cd<6>,1|C<3>,1|H<1>}	H(CC[6]N)	120.2970	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6]N)	119.6950	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Fe<6>,1|C<3>,1|H<1>}	H(CC[6]N)	120.0610	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<6>,1|C<3>,1|H<1>}	H(CC[6]N)	120.1770	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Ni<6>,1|C<3>,1|H<1>}	H(CC[6]N)	119.6660	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Zn<5>,1|C<3>,1|H<1>}	H(CC[6]N)	119.4840	0.000	1	120.0041	0.169	7	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	H(CC[6]N)	120.1634	0.613	19	120.1634	0.376	19	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	H(CC[6]N)	115.4570	0.000	1	115.4570	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	121.3470	0.000	1	121.3470	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN[5a])(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN[5a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	H(CC[6]N)	121.1730	0.000	1	121.1730	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.3010	0.000	1	118.3010	0.000	1	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.9135	0.004	2	119.9135	0.000	2	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	H(CC[6]N)	119.9823	0.703	12	119.9823	0.494	12	118.9133	6.627	83	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N)	120.2600	0.001	2	120.2600	0.000	2	120.6714	0.412	17	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.7300	0.078	2	120.7300	0.006	2	120.6714	0.412	17	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	H(CC[6]N)	118.4920	0.000	1	118.4920	0.000	1	120.6714	0.412	17	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.9118	0.270	12	120.9118	0.073	12	120.6714	0.412	17	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(NC[6a])(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]N[5,6]C[6])(NC[6a])(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]N)	123.8260	1.195	2	123.8260	1.428	2	123.8260	1.428	2	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.5350	0.072	2	119.5350	0.005	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.3425	0.180	2	121.3425	0.033	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	118.8605	0.131	2	118.8605	0.017	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.9205	0.144	2	119.9205	0.021	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	119.2790	0.923	2	119.4967	0.569	3	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.9320	0.000	1	119.4967	0.569	3	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	118.7763	0.547	6	118.7763	0.299	6	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	119.6660	0.000	1	119.6660	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	115.4180	0.000	1	115.4180	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	118.3960	0.000	1	118.3960	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.0455	0.210	2	121.0455	0.044	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	H(CC[6]N)	120.8285	0.356	2	120.8285	0.127	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	113.2150	1.622	2	113.2150	2.631	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	113.1610	0.000	1	113.1610	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	117.3170	0.000	1	117.3170	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	113.3100	0.000	1	113.3100	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	114.2070	0.371	2	114.2070	0.137	2	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	113.5770	0.000	1	113.5770	0.000	1	118.1219	7.599	32	119.1248	6.888	153	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:4:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	H(CC[6]N)	120.2765	0.066	2	120.2765	0.004	2	120.2765	0.004	2	118.0636	2.844	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:4:3:	3:	C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO){1|O<1>,2|C<3>}	H(CC[6]O)	117.2720	0.000	1	117.2720	0.000	1	117.3260	1.370	6	118.0636	2.844	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:4:3:	3:	C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(OC[6a])(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OC[6a])(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	H(CC[6]O)	119.0020	0.000	1	119.0020	0.000	1	117.3260	1.370	6	118.0636	2.844	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:4:3:	3:	C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(OCu)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OCu)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	H(CC[6]O)	116.4950	0.000	1	116.4950	0.000	1	117.3260	1.370	6	118.0636	2.844	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:4:3:	3:	C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO){2|C<3>}	H(CC[6]O)	117.9190	0.000	1	117.9190	0.000	1	117.3260	1.370	6	118.0636	2.844	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	3:4:3:	3:	C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(ORu)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(ORu)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	H(CC[6]O)	116.6340	1.427	2	116.6340	2.036	2	117.3260	1.370	6	118.0636	2.844	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:2:3:	3:	C[6]-3:C-2:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]C)	118.8320	0.000	1	118.8320	0.000	1	118.8320	0.000	1	118.8320	0.000	1	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	117.3257	1.205	3	117.3257	1.451	3	118.8090	5.287	6	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	118.9930	0.447	2	118.9930	0.200	2	118.8090	5.287	6	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	122.8910	0.000	1	122.8910	0.000	1	118.8090	5.287	6	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	H(CC[6]N)	120.4700	0.000	1	120.4700	0.000	1	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN){1|C<4>,4|H<1>}	H(CC[6]N)	119.1245	0.156	2	119.1245	0.024	2	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	H(CC[6]N)	119.2820	0.000	1	119.2820	0.000	1	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	H(CC[6]N)	120.0040	0.000	1	120.0040	0.000	1	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	H(CC[6]N)	121.3860	0.000	1	121.3860	0.000	1	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	H(CC[6]N)	118.6670	0.000	1	118.6670	0.000	1	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NS)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NS)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]N)	119.3990	0.000	1	119.3990	0.000	1	119.6821	0.792	8	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO){3|C<4>,5|H<1>}	H(CC[6]O)	118.1565	0.185	2	118.1565	0.034	2	118.1565	0.034	2	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]O)	127.9270	0.000	1	127.9270	0.000	1	121.4043	18.969	4	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	H(CC[6]O)	119.1040	0.000	1	119.1040	0.000	1	121.4043	18.969	4	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(OTe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Te)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OTe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Te)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]O)	119.2930	0.395	2	119.2930	0.156	2	121.4043	18.969	4	119.6120	5.785	20	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:4:3:	3:	C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HH)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HH)2(CCH){1|N<3>,4|H<1>}	H(CC[6]C)	118.8350	0.000	1	118.8350	0.000	1	118.8350	0.000	1	121.3990	12.179	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:4:3:	3:	C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[6]C[5,6]2)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)2(CHO)	H(CC[6]O)	C(C[6]C[5,6]2)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)2(CHO){2|H<1>,2|O<2>,3|C<4>}	H(CC[6]O)	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	121.3990	12.179	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:4:3:	3:	C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6])(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]O)	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	121.3990	12.179	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:4:3:	3:	C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(OC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6])(OC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHO){5|C<4>,6|H<1>}	H(CC[6]O)	120.4475	0.504	2	120.4475	0.254	2	120.4475	0.254	2	121.3990	12.179	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:2:1:	4:4:3:	3:	C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(OS)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO)	H(CC[6]O)	C(C[6]C[6]2)(OS)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]O)	128.3220	0.000	1	128.3220	0.000	1	128.3220	0.000	1	121.3990	12.179	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-2:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6])2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6])2(CCH){1|N<2>,2|H<1>}	H(CC[6]C)	115.5590	2.360	2	115.5590	5.571	2	115.5590	5.571	2	116.1820	3.950	3	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:O[6]-2:C-3:	C-3:	C(C[6]N[6]O[6])(CCH)(H)	C[6](N[6]C[6,6])(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]N[6]O[6])(CCH)(H)	C[6](N[6]C[6,6])(O[6]B[6])(CCH){1|C<3>,1|N<3>,2|F<1>}	H(CC[6]C)	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	116.1820	3.950	3	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH){1|O<2>,4|C<4>}	H(CC[6]C)	117.2830	0.417	2	117.2830	0.174	2	117.5707	0.335	3	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH){3|C<3>}	H(CC[6]C)	118.1460	0.000	1	118.1460	0.000	1	117.5707	0.335	3	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C-3:H-1:	S[6]-2:N[6]-3:C-3:	C-3:	C(C[6]N[6]S[6])(COO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	H(CC[6]C)	C(C[6]N[6]S[6])(COO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	H(CC[6]C)	118.6020	0.000	1	118.6020	0.000	1	118.6020	0.000	1	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	O[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H){3|C<3>}	H(CC[6a]C[6])	114.3700	0.000	1	114.3700	0.000	1	114.3700	0.000	1	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	S[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	H(CC[6a]C[6])	114.9650	1.098	15	114.9393	1.135	16	114.9393	1.135	16	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	S[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[6])	114.5540	0.000	1	114.9393	1.135	16	114.9393	1.135	16	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	S[6]-2:N[6]-3:C-3:	C-3:	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	H(CC[6a]C[6])	114.5302	1.417	5	114.5302	2.009	5	114.5302	2.009	5	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	Se[6]-2:N[6]-3:C-3:	C-3:	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	H(CC[6a]C[6])	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:N[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H)	H(CC[6]N[6])	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H){2|C<3>}	H(CC[6]N[6])	126.0190	0.000	1	126.0190	0.000	1	126.0190	0.000	1	115.7215	6.305	28	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(CNO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CNO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH){2|C<3>}	H(CC[6]C)	116.9190	0.000	1	116.9190	0.000	1	117.5256	0.238	8	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6]C)	117.8380	0.000	1	117.5375	0.203	6	117.5256	0.238	8	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]C)	117.2050	0.374	3	117.5375	0.203	6	117.5256	0.238	8	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|S<2>,2|C<3>}	H(CC[6]C)	117.8860	0.263	2	117.5375	0.203	6	117.5256	0.238	8	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH){1|H<1>,3|C<3>}	H(CC[6]C)	118.0610	0.000	1	118.0610	0.000	1	117.5256	0.238	8	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C[6a]-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[6])	113.8030	0.000	1	113.8030	0.000	1	115.5320	3.839	6	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C[6a]-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[6])	116.1382	2.179	4	116.1382	4.750	4	115.5320	3.839	6	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	2:4:3:	3:	C[6]-3:C[6a]-3:H-1:	O[6]-2:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H){1|C<4>,2|C<3>}	H(CC[6a]C[6])	114.8360	0.000	1	114.8360	0.000	1	115.5320	3.839	6	116.6712	2.653	14	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	H(CC[6]C)	119.1490	0.000	1	119.2980	0.044	2	119.0476	0.834	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|O<1>,1|O<2>,2|F<1>,2|N<3>}	H(CC[6]C)	119.4470	0.000	1	119.2980	0.044	2	119.0476	0.834	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	H(CC[6]C)	119.2760	0.483	3	119.4017	0.219	4	119.0476	0.834	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,2|C<3>,3|O<2>}	H(CC[6]C)	119.7790	0.000	1	119.4017	0.219	4	119.0476	0.834	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	117.1300	0.000	1	117.1300	0.000	1	119.0476	0.834	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,4|C<3>}	H(CC[6]C)	116.9460	0.000	1	116.9460	0.000	1	117.7212	0.383	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH){5|C<3>}	H(CC[6]C)	118.0710	0.544	2	118.0710	0.296	2	117.7212	0.383	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6]C)	117.7970	0.000	1	117.7970	0.000	1	117.7212	0.383	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	117.3655	0.562	2	117.3655	0.316	2	117.5412	0.177	5	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.2220	0.000	1	117.6583	0.145	3	117.5412	0.177	5	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|Cu<5>,1|C<3>,1|H<1>}	H(CC[6]C)	117.8765	0.069	2	117.6583	0.145	3	117.5412	0.177	5	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	117.1720	0.496	4	117.2162	0.153	6	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.3045	0.069	2	117.2162	0.153	6	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	H(CC[6]C)	118.3310	0.000	1	118.3310	0.000	1	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	116.4905	0.658	4	116.5642	0.352	5	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,2|C<3>}	H(CC[6]C)	116.8590	0.000	1	116.5642	0.352	5	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	H(CC[6]C)	119.0715	0.148	2	119.0715	0.022	2	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	H(CC[6]C)	117.8490	0.148	2	117.8490	0.022	2	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	H(CC[6]C)	118.8260	0.000	1	118.8260	0.000	1	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	H(CC[6]C)	117.2807	0.211	4	117.2807	0.045	4	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH){1|H<1>,4|C<3>}	H(CC[6]C)	116.7730	0.000	1	116.7730	0.000	1	117.4096	0.733	22	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH)	H(CC[6]C)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH){1|N<2>,1|N<3>,2|C<3>}	H(CC[6]C)	118.4410	0.000	1	118.4410	0.000	1	118.4410	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	N[5a,6]-3:S[6]-2:C-3:	C-3:	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	H(CC[6]C)	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	H(CC[6]C)	118.0180	0.068	2	118.0180	0.005	2	118.0180	0.005	2	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:S[6]-2:C-3:	C-3:	C(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	H(CC[6]C)	C(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]C)	118.3205	0.128	2	118.3205	0.016	2	118.3205	0.016	2	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H)	H(CC[6]2)	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H){1|C<3>,2|H<1>}	H(CC[6]2)	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H){1|H<1>,2|C<3>,2|N<2>}	H(CC[6a]C[6])	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]C[6])	115.0540	0.000	1	115.5455	0.483	2	115.7482	1.914	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[6])	116.0370	0.000	1	115.5455	0.483	2	115.7482	1.914	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(CC[6a]C[6])	117.5470	0.000	1	115.9510	5.094	2	115.7482	1.914	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]C[6])	114.3550	0.000	1	115.9510	5.094	2	115.7482	1.914	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[6])	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]C[6])	114.6925	0.458	4	114.6925	0.210	4	114.6925	0.210	4	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	H(CC[6a]C[6])	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:O[6]-2:C-3:	C-3:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	H(CC[6a]C[6])	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6,6a]O[6])(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,4|C<3>}	H(CC[6]N)	116.3740	0.000	1	116.3740	0.000	1	117.8325	4.254	2	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(NSS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6,6a]O[6])(NSS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,1|N<2>,3|C<3>}	H(CC[6]N)	119.2910	0.000	1	119.2910	0.000	1	117.8325	4.254	2	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	123.1330	0.000	1	123.1330	0.000	1	116.5367	17.344	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NC[6]Ni)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]Ni)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	112.6740	0.000	1	112.6740	0.000	1	116.5367	17.344	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.1180	0.000	1	118.1180	0.000	1	116.5367	17.344	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	112.4035	0.339	2	112.4035	0.115	2	116.5367	17.344	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NTeC)(H)	C[6](C[6]C[6]Te)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NTeC)(H)	C[6](C[6]C[6]Te)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	119.2350	0.000	1	119.2350	0.000	1	116.5367	17.344	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	117.7900	0.000	1	117.7900	0.000	1	116.5367	17.344	7	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6])(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.9850	0.000	1	120.9850	0.000	1	123.5155	12.807	2	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	126.0460	0.000	1	126.0460	0.000	1	123.5155	12.807	2	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:O[6]-2:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	H(CC[6a]C[6])	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	117.4481	5.157	68	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH){1|O<1>,2|C<3>}	H(CC[6]C)	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[3]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[3]N[3]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[3]H)	H(CC[3]C[6])	C(C[3]N[3]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[3]H){1|C<3>,1|H<1>}	H(CC[3]C[6])	118.6010	0.000	1	118.6010	0.000	1	118.6010	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]C[6])	112.8640	0.000	1	112.8640	0.000	1	112.8640	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[5]C[6])	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	H(CC[5]C[6])	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	H(CC[5]C[6])	114.7490	0.000	1	114.7490	0.000	1	115.2590	0.520	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	H(CC[5]C[6])	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	H(CC[5]C[6])	115.7690	0.000	1	115.7690	0.000	1	115.2590	0.520	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	H(CC[5a]C[6])	112.4650	0.000	1	112.4650	0.000	1	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	H(CC[5a]C[6])	113.7610	0.000	1	113.7610	0.000	1	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[6])	112.4130	0.000	1	112.4130	0.000	1	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[6])	112.9860	0.000	1	112.9860	0.000	1	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	H(CC[5a]C[6])	112.8406	0.231	5	112.8406	0.053	5	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	H(CC[5a]C[6])	111.3570	0.000	1	111.4950	0.038	2	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	H(CC[5a]C[6])	111.6330	0.000	1	111.4950	0.038	2	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[6])	112.0535	0.179	2	112.0535	0.032	2	112.5327	0.425	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	H(CC[5a]C[6])	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6])	115.6953	1.272	4	115.6953	1.617	4	115.6953	1.617	4	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[6]C)	115.1690	0.000	1	115.5150	0.151	3	115.5150	0.151	3	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6]C)	115.6880	0.351	2	115.5150	0.151	3	115.5150	0.151	3	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CCN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CCN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]C)	116.0890	0.000	2	116.0890	0.000	2	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]C)	116.7527	0.487	3	116.7527	0.237	3	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	H(CC[6]C)	117.6320	0.000	1	117.8866	0.678	5	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	H(CC[6]C)	118.2340	1.459	2	117.8866	0.678	5	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]C)	117.6665	0.422	2	117.8866	0.678	5	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	H(CC[6]C)	119.0600	0.000	1	118.3120	0.357	5	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]C)	118.1250	0.493	4	118.3120	0.357	5	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CN[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	H(CC[6]C)	C(C[6]C[5a,6]2)(CN[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	H(CC[6]C)	116.7630	0.000	2	116.7630	0.000	2	117.4679	0.962	17	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6]C)	117.2030	0.255	2	117.2030	0.065	2	117.2030	0.065	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[5a,6]N[6])(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]N[6])(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	H(CC[6]C)	115.2550	0.000	1	115.2550	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	116.8210	0.000	1	116.8210	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	114.5850	0.000	1	114.5850	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	H(CC[6]C)	116.8710	0.315	2	116.8710	0.099	2	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	117.5760	0.000	1	117.5760	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	117.2020	0.000	1	117.2020	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[6]C)	116.3240	0.000	1	116.3240	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6]C)	117.0950	0.000	1	117.0950	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	117.5507	0.557	4	117.5507	0.311	4	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	115.6320	0.000	1	115.6320	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){2|Co<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6]C)	114.1910	0.000	1	114.1910	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|O<2>,2|C<3>,3|H<1>}	H(CC[6]C)	117.2360	0.000	1	117.2360	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(CC[6]C)	117.5000	0.000	1	116.7635	1.085	2	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	116.0270	0.000	1	116.7635	1.085	2	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){2|H<1>,3|C<3>}	H(CC[6]C)	114.8710	0.000	1	114.8710	0.000	1	116.5400	1.308	19	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH){2|H<1>,3|C<3>}	H(CC[6]C)	114.2400	0.000	1	114.2400	0.000	1	114.9879	4.402	7	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(CC[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CC[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	118.4220	0.000	1	118.4220	0.000	1	114.9879	4.402	7	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6]C)	114.0380	1.063	3	114.0380	1.130	3	114.9879	4.402	7	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH){1|H<1>,6|C<3>}	H(CC[6]C)	115.0695	3.013	2	115.0695	9.078	2	114.9879	4.402	7	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.4290	0.000	1	116.4290	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	H(CC[6]C)	113.7450	0.000	1	113.7450	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	H(CC[6]C)	110.6300	0.000	1	110.6300	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH){1|O<2>,2|C<3>}	H(CC[6]C)	117.3380	0.000	1	117.3380	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6]C)	114.9140	0.000	1	114.9140	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]C)	116.8040	0.000	1	116.3530	0.107	6	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6]C)	116.2660	0.184	2	116.3530	0.107	6	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|H<1>,1|N<3>}	H(CC[6]C)	116.6660	0.000	1	116.3530	0.107	6	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<6>,1|C<3>,1|H<1>}	H(CC[6]C)	116.0580	0.113	2	116.3530	0.107	6	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	116.3110	2.116	2	116.9979	0.515	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	116.6300	0.000	1	116.9979	0.515	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	117.1608	0.309	10	116.9979	0.515	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	H(CC[6]C)	117.1100	0.000	1	116.9979	0.515	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]C)	114.7870	0.000	1	114.7870	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]O)2(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	118.8600	0.000	1	118.8600	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	H(CC[6]C)	115.3455	0.301	2	115.3430	0.045	3	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.3380	0.000	1	115.3430	0.045	3	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]O[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	H(CC[6]C)	115.3195	0.338	4	115.3195	0.114	4	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	H(CC[6]C)	117.1190	0.000	1	117.1190	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]N[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	H(CC[6]C)	112.7622	0.527	4	112.7622	0.278	4	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]O[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	H(CC[6]C)	113.2800	0.148	7	113.2800	0.022	7	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[3]H)(H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[3]H)(H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]C)	113.2690	0.000	1	113.2690	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5,6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5,6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]C)	115.2380	0.250	3	115.2380	0.062	3	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]C)(H)	C[6](C[6]N[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]C)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	113.1340	0.000	1	113.1340	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	116.9775	0.702	2	116.9775	0.493	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6]C)	116.1620	0.000	1	116.9037	0.423	3	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,1|O<2>}	H(CC[6]C)	117.1740	0.000	1	116.9037	0.423	3	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,2|N<3>}	H(CC[6]C)	117.3750	0.000	1	116.9037	0.423	3	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	117.1020	0.000	1	116.3894	7.128	9	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	109.4190	0.000	1	116.3894	7.128	9	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	117.1738	0.714	5	116.3894	7.128	9	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	H(CC[6]C)	117.7680	0.000	1	116.3894	7.128	9	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){3|N<3>}	H(CC[6]C)	117.3470	0.000	1	116.3894	7.128	9	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|C<3>}	H(CC[6]C)	116.9900	0.000	1	117.6118	0.241	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	117.6978	0.476	12	117.6118	0.241	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	H(CC[6]C)	117.2010	0.000	1	117.6118	0.241	14	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	H(CC[6]C)	116.3820	0.000	1	116.3820	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	H(CC[6]C)	117.8435	0.036	2	117.8435	0.001	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	117.3395	1.542	144	117.3395	2.377	144	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	116.4030	0.000	1	116.4030	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|Ru<8>,1|C<3>,1|H<1>,1|H<2>}	H(CC[6]C)	115.9860	0.102	2	115.9860	0.010	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]C)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]C)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	114.5980	0.000	1	114.5980	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	H(CC[6]C)	116.6740	0.709	2	116.6740	0.502	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	117.8745	0.548	6	117.7769	0.252	8	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	H(CC[6]C)	117.4840	0.184	2	117.7769	0.252	8	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]C)	114.9060	0.000	1	114.9060	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]C)	117.5410	0.000	1	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Cd<6>,1|C<3>,1|H<1>}	H(CC[6]C)	117.2350	0.000	1	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6]C)	116.7820	0.718	2	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Mn<6>,1|C<3>,1|H<1>}	H(CC[6]C)	116.2230	0.878	2	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Ni<6>,1|C<3>,1|H<1>}	H(CC[6]C)	116.5585	0.547	2	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]C)	117.1926	0.931	9	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	H(CC[6]C)	116.7117	0.680	4	116.9278	0.625	21	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	117.1418	0.549	9	117.3043	1.449	223	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	117.3168	1.287	176	117.3043	1.449	223	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|P<4>,2|C<2>}	H(CC[6]C)	115.0940	0.000	1	117.3043	1.449	223	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){3|N<3>}	H(CC[6]C)	117.3442	0.819	37	117.3043	1.449	223	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	H(CC[6]C)	117.1570	0.000	1	117.1570	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	125.9390	0.000	1	125.9390	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	117.6941	1.832	9	117.6941	3.355	9	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHN)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHN)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	H(CC[6]C)	114.3300	0.000	1	114.3300	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH){2|C<4>}	H(CC[6]C)	117.3080	0.000	1	117.3080	0.000	1	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	H(CC[6]C)	112.4250	0.000	1	113.5385	2.480	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	114.6520	0.000	1	113.5385	2.480	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CSiH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CSiH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	H(CC[6]C)	116.1000	0.093	2	116.1000	0.009	2	117.0758	2.492	502	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.3990	0.000	1	117.3990	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]C)	112.5870	0.000	1	112.5870	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.3220	0.000	1	117.3220	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	118.4550	0.020	2	118.4550	0.000	2	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.6733	0.878	6	117.6733	0.771	6	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	110.6515	1.030	2	110.6515	1.061	2	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	113.8140	0.000	1	113.8140	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	111.5640	0.000	1	111.5640	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	118.3458	0.982	19	118.5303	0.721	39	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	118.9870	0.500	4	118.5303	0.721	39	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	H(CC[6]C)	118.6351	0.714	16	118.5303	0.721	39	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.6120	0.587	2	117.6120	0.344	2	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]C)	118.4230	0.000	1	118.4230	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH){4|C<3>}	H(CC[6]C)	118.5267	0.190	3	118.5267	0.036	3	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	116.4800	0.000	1	116.4800	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	118.6560	0.000	1	118.6560	0.000	1	117.8062	3.992	62	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[6,6]C[6])(CCH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]N[6,6]C[6])(CCH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	118.4080	0.000	1	118.4080	0.000	1	118.4097	0.085	3	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	118.4105	0.412	2	118.4105	0.170	2	118.4097	0.085	3	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.8590	0.000	1	117.8590	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.1960	0.000	1	117.1960	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	114.7245	0.262	2	114.7245	0.069	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	116.3030	0.179	3	116.3030	0.032	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	118.5637	0.731	3	118.5637	0.535	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	H(CC[6]C)	118.9060	0.000	1	118.9060	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	H(CC[6]C)	118.2110	0.000	1	118.2110	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.6202	0.070	4	117.6202	0.005	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	117.1213	0.134	4	117.1213	0.018	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.0160	1.034	4	117.0160	1.068	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]C)	116.7490	0.000	1	117.0857	0.120	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.2540	0.264	2	117.0857	0.120	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	116.3912	0.294	5	116.3912	0.087	5	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	116.5960	0.229	2	116.5960	0.052	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	115.4570	0.160	2	115.5290	0.039	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.6010	0.267	2	115.5290	0.039	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.5367	0.605	3	115.5367	0.366	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.8890	0.834	2	117.8890	0.696	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.4250	0.000	1	117.4250	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	119.2560	0.000	1	119.1803	11.513	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	119.1425	4.798	2	119.1803	11.513	3	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.6174	0.746	20	117.7042	0.561	23	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|N<3>,2|C<3>}	H(CC[6]C)	117.9740	0.240	2	117.7042	0.561	23	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	H(CC[6]C)	118.9010	0.000	1	117.7042	0.561	23	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	116.7968	0.723	8	116.7968	0.523	8	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.9090	0.646	2	117.9090	0.418	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.2790	0.000	1	117.2790	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	116.8020	0.000	1	116.8020	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.7100	0.000	1	121.7100	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	115.4075	0.280	4	115.4075	0.078	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.1205	0.448	2	115.1205	0.200	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.9025	0.357	2	115.9025	0.128	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	114.8210	0.361	2	114.8210	0.130	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.4840	0.352	2	115.4840	0.124	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	115.3480	2.161	2	115.3480	4.670	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	115.3805	2.290	2	115.3805	5.246	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	115.3140	0.000	1	115.3140	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	116.0520	0.000	1	116.0520	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.7208	1.918	6	117.7208	3.679	6	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	118.4680	0.000	1	118.4680	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	H(CC[6]C)	118.2900	0.000	1	118.6205	0.218	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	118.9510	0.000	1	118.6205	0.218	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	114.7110	0.000	1	114.7110	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	116.0100	0.000	1	116.0100	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	116.7380	0.147	6	116.7380	0.022	6	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	116.5510	0.738	2	116.5510	0.545	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.2272	0.940	4	115.2272	0.883	4	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.1812	0.372	6	115.1812	0.138	6	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.4238	0.313	5	121.4238	0.098	5	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CFePd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CFePd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	120.9830	0.000	1	120.9830	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CHH)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CHH)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	H(CC[6]C)	117.7940	0.000	1	117.7940	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CHN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CHN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.9350	0.000	1	121.9350	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CHN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CHN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	115.7920	0.000	1	115.7920	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.5620	0.000	1	121.5620	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CIrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CIrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.6200	0.000	1	121.6200	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	H(CC[6]C)	118.4345	0.484	2	118.4345	0.235	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	H(CC[6]C)	119.0350	0.000	1	119.0350	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COsH)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COsH)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	120.1417	2.425	6	120.1417	5.880	6	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COsO)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COsO)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	122.5870	0.000	1	122.5870	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COsO)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COsO)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	123.5670	0.000	1	123.5670	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CPtH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CPtH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.0360	0.000	1	121.0360	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CReH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CReH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	123.7750	0.000	1	123.7750	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CRhC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CRhC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.0910	0.000	1	121.0910	0.000	1	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CRuH)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CRuH)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	121.5510	0.235	2	121.5510	0.055	2	117.4931	4.549	157	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-3:C-3:	C-3:	C(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[6]H)2(CCH){1|N<3>,2|O<1>}	H(CC[6]C)	118.5050	0.000	1	118.5050	0.000	1	118.5275	0.001	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-3:C-3:	C-3:	C(C[6]N[6]2)(CC[6a]O)(H)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	H(CC[6]C)	C(C[6]N[6]2)(CC[6a]O)(H)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]C)	118.5500	0.000	1	118.5500	0.000	1	118.5275	0.001	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[4a]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[4a]C[4a]2)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H)	H(CC[4a]C[6])	C(C[6]C[6]N[6])(C[4a]C[4a]2)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H){1|C<4>,2|C<3>}	H(CC[4a]C[6])	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[5]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]H)	H(CC[5]C[6])	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[5]C[6])	118.5180	0.000	1	118.5180	0.000	1	118.0130	0.510	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[5]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[5]H)	H(CC[5]C[6])	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[5]C[6])	117.5080	0.000	1	117.5080	0.000	1	118.0130	0.510	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H)	H(CC[6]2)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	H(CC[6]2)	114.9715	0.629	4	115.0804	0.356	5	115.0804	0.356	5	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H)	H(CC[6]2)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H){1|O<2>,2|C<3>}	H(CC[6]2)	115.5160	0.000	1	115.0804	0.356	5	115.0804	0.356	5	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(CC[6a]C[6])	115.3910	0.016	2	114.7585	0.756	12	114.7585	0.756	12	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	H(CC[6a]C[6])	114.6320	0.904	10	114.7585	0.756	12	114.7585	0.756	12	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C[6])	115.0670	0.000	1	114.6795	0.300	2	114.6795	0.300	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]C[6])	114.2920	0.000	1	114.6795	0.300	2	114.6795	0.300	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]C[6])	114.7960	0.000	1	114.7960	0.000	1	114.4270	0.272	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(CC[6a]C[6])	114.0580	0.000	1	114.0580	0.000	1	114.4270	0.272	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[6])	113.3970	0.000	1	113.3970	0.000	1	114.1716	2.707	9	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]C[6])	116.0280	0.000	1	116.0280	0.000	1	114.1716	2.707	9	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	H(CC[6a]C[6])	115.0460	0.000	1	115.0460	0.000	1	114.1716	2.707	9	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[6a]C[6])	115.3130	0.000	1	115.3130	0.000	1	114.1716	2.707	9	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	H(CC[6a]C[6])	113.5060	0.000	1	113.5060	0.000	1	114.1716	2.707	9	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	H(CC[6a]C[6])	113.5635	2.131	4	113.5635	4.540	4	114.1716	2.707	9	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H){1|O<1>,2|H<1>,3|C<4>}	H(CC[6a]C[6])	114.4070	0.000	1	114.4070	0.000	1	114.4070	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	H(CC[6]N)	117.7183	0.348	18	118.0055	0.890	20	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	H(CC[6]N)	120.5905	0.033	2	118.0055	0.890	20	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	H(CC[6]N)	119.2995	2.053	2	119.2995	4.214	2	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|H<1>,1|O<1>,3|C<3>}	H(CC[6]N)	120.9050	0.881	2	118.5162	1.082	43	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	H(CC[6]N)	117.2250	0.000	1	118.5162	1.082	43	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	H(CC[6]N)	118.4418	0.917	38	118.5162	1.082	43	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	H(CC[6]N)	118.1855	0.023	2	118.5162	1.082	43	118.3831	1.122	65	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NBH)(H)	C[6](C[6]N[6]C)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NBH)(H)	C[6](C[6]N[6]C)2(CHN){1|B<4>,2|C<3>}	H(CC[6]N)	116.3820	0.000	1	116.3820	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCC)(H)	C[6](C[6]C[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCC)(H)	C[6](C[6]C[6]O)2(CHN){3|C<3>}	H(CC[6]N)	114.8113	0.922	3	114.8113	0.850	3	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	H(CC[6]N)	116.7790	0.000	1	116.7790	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6]N)	116.8000	0.000	1	116.8000	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	118.5420	0.041	2	118.5420	0.002	2	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]N)	118.4980	0.366	3	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6]N)	118.6920	0.000	1	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	119.9820	2.481	2	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6]N)	118.6800	0.000	1	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]N)	117.3910	0.975	3	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	118.2107	0.570	16	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	119.7322	1.827	14	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	H(CC[6]N)	119.2572	0.389	5	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	H(CC[6]N)	118.2080	0.000	1	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.5308	1.455	12	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]N)	118.6860	0.000	1	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6]N)	119.0640	0.217	3	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6]N)	120.9865	3.299	2	118.8647	2.064	64	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	116.4570	0.000	1	116.4570	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|C<4>}	H(CC[6]N)	118.4688	0.604	4	117.5243	1.575	7	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN){3|C<3>}	H(CC[6]N)	116.2650	0.119	3	117.5243	1.575	7	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCO)(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCO)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	114.0750	0.000	1	114.0750	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[3x6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[3x6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	118.8650	0.000	1	118.8650	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5,6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[5,6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.3685	0.315	2	118.3685	0.099	2	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	H(CC[6]N)	118.9670	0.000	1	118.9670	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	116.9736	0.824	8	116.9736	0.679	8	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,3|H<1>}	H(CC[6]N)	118.6660	0.000	1	118.6660	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	115.7650	0.000	1	115.7650	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.0903	0.990	3	119.0903	0.980	3	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	H(CC[6]N)	116.7640	0.000	1	116.7640	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	119.4420	0.000	1	119.4420	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6]N)	118.6360	0.567	2	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]N)	119.7333	1.645	3	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6]N)	118.4380	0.000	1	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	118.5713	0.257	3	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6]N)	120.2420	0.000	1	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	118.5620	0.808	4	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	118.5272	1.325	17	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.1470	0.633	24	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	H(CC[6]N)	118.6188	0.268	4	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]N)	119.3512	1.296	4	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	117.9990	0.544	2	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6]N)	118.2337	0.427	3	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6]N)	118.3387	0.179	3	118.4958	0.936	71	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6]N)	116.1680	0.000	1	116.1680	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.9990	0.000	1	118.9990	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	117.0484	0.583	18	117.0484	0.339	18	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Pd)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Pd)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	115.3990	0.000	1	115.3990	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCoN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCoN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]N)	118.6130	0.000	1	118.6130	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]N)	117.2450	0.000	1	117.2450	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	118.6940	0.000	1	118.6940	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCuN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCuN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	117.1030	0.000	1	117.1030	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NFeN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NFeN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]N)	117.8423	0.445	3	117.8423	0.198	3	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NHH)(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NHH)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	114.7360	0.000	1	114.7360	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NHN)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NHN)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	H(CC[6]N)	124.4310	0.000	1	124.4310	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NMgC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NMgC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<2>,1|O<2>,2|H<1>}	H(CC[6]N)	116.5070	0.000	1	116.5070	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NMnC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NMnC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	117.2820	0.000	1	117.2820	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NN[5a]H)(H)	C[6](C[6]O[6]O)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NN[5a]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	H(CC[6]N)	116.8580	0.115	2	116.8580	0.013	2	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6]N)	118.3300	0.000	1	118.3300	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NNiN)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NNiN)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	116.1850	0.000	1	116.1850	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NPdC)(H)	C[6](C[6]C[6]H)2(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NPdC)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	116.0500	0.000	1	116.0500	0.000	1	118.1891	2.178	208	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	115.1010	0.000	1	115.1010	0.000	1	119.2758	36.457	4	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	116.8785	0.039	2	116.8785	0.002	2	119.2758	36.457	4	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeC)(H)	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	128.2450	0.000	1	128.2450	0.000	1	119.2758	36.457	4	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NAgN)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NAgN)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.2005	0.292	2	120.2005	0.085	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[3]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[3]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.2050	0.000	1	120.2050	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[3x6]Ag)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[3x6]Ag)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.4920	0.000	1	119.4920	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[3x6]Re)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[3x6]Re)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.0720	0.000	1	120.0720	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[5]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[5]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.1800	0.437	2	120.1800	0.191	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[5]Sn)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[5]Sn)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.9650	0.071	2	120.9650	0.005	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	115.0390	0.000	1	115.0390	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.5350	1.970	3	121.5350	3.882	3	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.6575	0.177	2	121.6575	0.032	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.6280	0.000	1	120.6280	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.8210	2.068	4	120.8210	4.275	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.8885	1.242	2	121.8885	1.544	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.9720	0.369	4	119.9720	0.136	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.1707	0.411	4	120.1707	0.169	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.9317	0.385	4	120.9317	0.149	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.7290	0.000	1	121.7290	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	119.8560	0.000	1	119.9610	0.022	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.0660	0.000	1	119.9610	0.022	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ag)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ag)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.5705	0.086	2	119.5705	0.007	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Al)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Al)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.2660	0.158	4	121.2660	0.025	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.4653	0.524	3	119.4653	0.275	3	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	119.5184	0.313	5	119.4831	0.189	7	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.3950	0.847	2	119.4831	0.189	7	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.9276	2.056	17	121.1000	3.321	37	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	122.0965	0.677	20	121.1000	3.321	37	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.1888	1.234	6	121.0991	1.136	8	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.8300	0.376	2	121.0991	1.136	8	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	124.6850	0.000	1	120.5539	3.785	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.2963	1.776	19	120.5539	3.785	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.3170	0.000	1	120.5539	3.785	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CHN){1|Cu<4>,1|C<3>,1|H<1>}	H(CC[6]N)	120.4995	0.511	4	120.4995	0.261	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.9920	0.068	2	120.9920	0.005	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	122.2235	0.474	2	121.8071	0.782	45	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.5871	0.905	34	121.8071	0.782	45	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	122.5457	0.174	9	121.8071	0.782	45	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	117.9132	1.754	5	117.9132	3.077	5	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.4950	0.000	1	119.4950	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.2350	0.000	1	120.2350	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.9129	0.891	13	120.9129	0.794	13	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mg)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mg)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.0065	0.149	2	120.0065	0.022	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.8636	0.591	7	120.8636	0.350	7	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	120.2070	1.003	2	120.5901	0.197	14	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	121.0290	0.000	1	120.5901	0.197	14	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.6026	0.338	10	120.5901	0.197	14	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.7920	0.000	1	120.5901	0.197	14	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.3240	1.588	6	119.3240	2.520	6	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.2070	0.511	2	120.2070	0.261	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]N[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]N[6]H)(CHN){2|C<3>}	H(CC[6]N)	121.7675	0.279	2	121.7675	0.078	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]N)	120.7915	1.311	6	120.7066	0.785	48	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.5167	0.874	31	120.7066	0.785	48	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.1955	0.399	11	120.7066	0.785	48	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Os)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Os)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	122.1120	0.000	1	122.1120	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.9090	0.214	2	120.9090	0.046	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.4604	1.029	8	120.6794	1.358	9	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	122.4320	0.000	1	120.6794	1.358	9	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]N[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]N[6]Pd)(C[6]C[6]H)(CHN){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6]N)	120.6150	0.034	2	120.6150	0.001	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.9600	1.075	8	120.9600	1.156	8	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Re)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Re)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.6956	0.174	7	120.6956	0.030	7	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Rh)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Rh)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.9585	1.015	2	121.9585	1.030	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.3092	0.624	5	121.3092	0.389	5	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Sn)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Sn)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.1603	0.958	7	120.1603	0.919	7	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Ti)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Ti)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	121.2090	0.368	2	121.2090	0.135	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.9980	0.380	4	119.9980	0.144	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6]N)	120.0570	0.000	1	120.0462	0.628	108	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	120.0191	0.486	7	120.0462	0.628	108	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>}	H(CC[6]N)	116.9290	0.000	1	120.0462	0.628	108	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.1134	0.487	73	120.0462	0.628	108	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.9842	1.242	26	120.0462	0.628	108	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCaC)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCaC)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.5080	0.344	2	119.5080	0.118	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCaN)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCaN)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.4290	0.037	2	120.4290	0.001	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	118.4750	0.000	1	118.4750	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.0790	0.850	2	120.0790	0.722	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCdN)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCdN)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.2470	0.116	2	121.2470	0.013	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCdO)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCdO)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.0580	0.646	2	120.0580	0.418	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCo2)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCo2)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.9170	0.000	1	121.9170	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]N)	120.8580	1.018	2	120.9857	1.363	19	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	120.1732	0.561	5	120.9857	1.363	19	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.8183	1.095	8	120.9857	1.363	19	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6]N)	121.1960	1.034	2	120.9857	1.363	19	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.6040	0.023	2	120.9857	1.363	19	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6]N)	121.0830	0.288	4	121.0830	0.083	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	122.1440	0.000	1	122.2623	0.103	6	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	122.2860	0.353	5	122.2623	0.103	6	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCoO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCoO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.0595	0.250	2	121.0595	0.062	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCrC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCrC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.9738	2.382	6	119.9738	5.676	6	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	119.2867	3.078	4	119.2867	9.476	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	121.1930	0.714	3	120.6677	0.524	29	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.9218	0.773	15	120.6677	0.524	29	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.1780	0.290	11	120.6677	0.524	29	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	123.1620	0.000	1	123.1620	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	122.2502	0.564	4	121.0538	1.044	13	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.5221	0.643	9	121.0538	1.044	13	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	122.0915	0.127	2	121.6448	0.130	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NCuO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NCuO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.5977	0.345	19	121.6448	0.130	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NEuC)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NEuC)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.3070	0.006	2	119.3070	0.000	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	120.4583	0.688	55	121.0390	1.438	87	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	122.0370	1.240	32	121.0390	1.438	87	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.6120	0.400	6	121.6120	0.160	6	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	106.0470	0.000	1	106.0470	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	123.1245	0.211	2	122.1597	0.373	13	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.9843	0.472	11	122.1597	0.373	13	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.6620	0.580	3	120.6620	0.337	3	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NIrN)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NIrN)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6]N)	121.7810	0.000	1	121.7810	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NIrO)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NIrO)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.8275	0.327	2	120.8275	0.107	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	122.3260	0.000	1	122.3260	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	120.3190	0.000	1	120.6737	0.522	32	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.3928	0.750	17	120.6737	0.522	32	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.0401	0.542	14	120.6737	0.522	32	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnN)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnN)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.3975	0.867	11	121.3975	0.752	11	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.8620	0.000	1	121.8620	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMnO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMnO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.6765	0.521	4	120.6765	0.272	4	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NMoC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NMoC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.7660	0.546	3	119.7660	0.298	3	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NN[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NN[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.1500	0.000	1	121.1500	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNdN)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNdN)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.2105	0.013	2	121.2105	0.000	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	121.2260	0.000	1	120.8260	0.619	44	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.7511	0.862	35	120.8260	0.619	44	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	121.1035	0.241	8	120.8260	0.619	44	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	121.4990	0.692	8	121.9715	0.420	35	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]N)	122.5613	0.309	3	121.9715	0.420	35	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	122.0553	0.580	24	121.9715	0.420	35	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6]N)	121.0047	0.398	6	121.4791	0.326	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	121.0210	0.291	3	121.4791	0.326	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.8308	0.436	12	121.4791	0.326	21	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NOsC)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NOsC)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.8850	0.000	1	120.8850	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NPbN)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NPbN)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.5090	0.000	1	119.5090	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.2480	0.000	1	120.2480	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NPdN)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NPdN)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.9230	0.000	1	121.9230	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NPdO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NPdO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	122.1160	0.000	1	122.1160	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NPtC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NPtC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.5482	0.402	5	120.5482	0.162	5	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NPtH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NPtH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.7370	0.000	1	121.7370	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.7398	0.510	12	120.7398	0.260	12	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NReN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NReN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.5626	1.086	5	121.5626	1.179	5	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NRhC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NRhC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	120.9590	0.481	2	120.9590	0.231	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NRuC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NRuC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.4010	0.272	3	121.4010	0.074	3	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NRuN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NRuN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.6800	0.000	1	120.6800	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NRuS)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NRuS)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	123.4160	0.000	1	123.4160	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NSmC)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NSmC)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	119.2540	0.511	2	119.2540	0.261	2	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	119.6354	0.304	20	120.0033	0.273	42	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	119.9590	0.161	3	120.0033	0.273	42	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.3975	0.454	19	120.0033	0.273	42	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	120.5037	1.313	3	121.3097	0.771	11	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.6120	0.475	8	121.3097	0.771	11	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	121.5870	0.000	1	121.5870	0.000	1	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(NZnO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]N[6])(NZnO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	120.8232	0.382	5	120.8232	0.146	5	120.7928	1.622	911	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[5]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H){1|C<3>,2|H<1>}	H(CC[6]N[5])	117.1960	1.624	3	117.1960	2.637	3	119.5132	11.386	5	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[5]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N[5])	122.9890	0.000	2	122.9890	0.000	2	119.5132	11.386	5	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:O-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(ORhH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHO)	H(CC[6]O)	C(C[6]C[6]N[6])(ORhH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHO){1|C<3>,2|H<1>}	H(CC[6]O)	124.0095	0.124	2	124.0095	0.015	2	124.0095	0.015	2	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]P)	118.3110	0.000	1	118.3110	0.000	1	121.6972	3.594	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	120.6660	0.412	2	120.6660	0.169	2	121.6972	3.594	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	123.0073	0.127	3	122.8184	0.152	8	121.6972	3.594	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	122.7050	0.464	5	122.8184	0.152	8	121.6972	3.594	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]Rh)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]Rh)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	119.9370	3.470	2	119.9370	12.044	2	121.6972	3.594	13	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	H(CC[6a]C[6])	114.1920	0.225	2	114.1920	0.051	2	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	106.3280	0.000	1	106.3280	0.000	1	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	H(CC[6a]C[6])	111.4808	4.358	4	111.4808	18.994	4	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	H(CC[6a]C[6])	114.9030	0.000	1	114.9030	0.000	1	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[6])	115.7370	0.000	1	115.7370	0.000	1	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	H(CC[6a]C[6])	114.6927	0.944	3	114.6927	0.891	3	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	116.0930	0.000	1	116.0930	0.000	1	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6])	113.5150	0.000	1	111.4513	2.157	14	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	H(CC[6a]C[6])	111.2925	1.398	13	111.4513	2.157	14	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	H(CC[6a]C[6])	113.9131	1.739	15	113.9131	3.025	15	112.8681	6.352	42	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	S[6]-3:S[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]S[6]2)(H)	C[6](S[6]C[6]O)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]S[6]2)(H)	C[6](S[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	118.7875	6.439	2084	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	H(CC[5a]C[6])	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5a]C[6])	115.1430	0.000	1	115.1430	0.000	1	115.1430	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H){2|C<3>,2|C<4>}	H(CC[5a]C[6])	114.3740	0.000	2	114.3740	0.000	2	114.3740	0.000	2	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	H(CC[5a]C[6])	115.5930	0.000	1	115.5930	0.000	1	115.8923	1.654	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(CC[5a]C[6])	116.2274	1.358	5	116.2274	1.845	5	115.8923	1.654	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	H(CC[5a]C[6])	114.5160	0.000	1	114.5160	0.000	1	115.8923	1.654	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	H(CC[5a]C[6])	112.6960	0.000	1	112.6960	0.000	1	112.4045	0.170	2	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]N[5a,6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[6])	112.1130	0.000	1	112.1130	0.000	1	112.4045	0.170	2	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH){2|H<1>,5|C<4>}	H(CC[6]C)	114.1440	0.000	1	114.1440	0.000	1	114.8307	0.123	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	115.2140	0.000	1	115.2140	0.000	1	114.8307	0.123	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]C)	114.9163	0.126	3	114.8914	0.026	5	114.8307	0.123	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]C)	114.6710	0.000	1	114.8914	0.026	5	114.8307	0.123	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	115.0370	0.000	1	114.8914	0.026	5	114.8307	0.123	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH){1|O<2>,2|C<4>,3|C<3>}	H(CC[6]C)	115.7470	0.000	1	115.7470	0.000	1	119.4620	27.602	2	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(CC[6]C)	123.1770	0.000	1	123.1770	0.000	1	119.4620	27.602	2	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	115.4433	0.788	4	115.4433	0.621	4	115.2106	0.580	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	115.0860	0.000	1	115.0860	0.000	1	115.2106	0.580	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	114.0790	0.000	1	114.8075	1.061	2	115.2106	0.580	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]C)	115.5360	0.000	1	114.8075	1.061	2	115.2106	0.580	7	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(CC[6]C)	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6,6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6,6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(CC[6]C)	116.8770	0.000	1	116.8770	0.000	1	116.8770	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]C)	113.0130	0.000	1	113.0130	0.000	1	115.6104	2.667	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	116.2030	0.000	1	116.2030	0.000	1	115.6104	2.667	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	116.6820	0.000	1	116.6820	0.000	1	115.6104	2.667	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH){2|H<1>,3|C<3>}	H(CC[6]C)	115.7250	1.703	2	115.7250	2.899	2	115.6104	2.667	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[6]C)	115.7865	1.829	4	115.7865	3.346	4	115.6104	2.667	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]C)	114.4630	0.000	1	114.4630	0.000	1	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH){2|C<3>}	H(CC[6]C)	116.2965	0.323	2	116.2965	0.104	2	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6]C)	116.4630	0.222	4	116.4630	0.049	4	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	114.5600	0.000	1	114.5600	0.000	1	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH){2|C<3>}	H(CC[6]C)	116.3140	0.000	1	116.3140	0.000	1	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	H(CC[6]C)	127.6130	0.000	1	127.6130	0.000	1	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH){1|C<3>,1|C<4>}	H(CC[6]C)	117.2800	0.000	1	117.2800	0.000	1	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	H(CC[6]C)	117.7990	0.000	1	117.7990	0.000	1	117.2062	11.645	12	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]N[5,6]C[6])(COO)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]N[5,6]C[6])(COO)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(CCH){1|H<1>,2|O<1>,4|C<3>}	H(CC[6]C)	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	H(CC[6]C)	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H)	H(CC[6]2)	C(C[6]C[5,6]C[6])(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]2)	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	H(CC[6a]C[6])	115.4975	0.361	2	115.4975	0.131	2	115.8233	1.155	4	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]C[6])	114.9430	0.000	1	114.9430	0.000	1	115.8233	1.155	4	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H){2|C<4>,4|C<3>}	H(CC[6a]C[6])	117.3550	0.000	1	117.3550	0.000	1	115.8233	1.155	4	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]C[6])	115.4220	0.000	1	115.4220	0.000	1	115.6030	0.433	5	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[6])	114.8930	0.000	1	114.8930	0.000	1	115.6030	0.433	5	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	H(CC[6a]C[6])	115.1130	0.000	1	115.1130	0.000	1	115.6030	0.433	5	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]C[6])	116.2935	0.049	2	116.2935	0.002	2	115.6030	0.433	5	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C[6])	114.3060	0.000	1	114.3060	0.000	1	115.5825	0.501	6	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[6])	116.0140	0.000	1	115.9625	0.080	4	115.5825	0.501	6	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	H(CC[6a]C[6])	115.9453	0.343	3	115.9625	0.080	4	115.5825	0.501	6	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H){1|C<3>,3|C<4>}	H(CC[6a]C[6])	115.3390	0.000	1	115.3390	0.000	1	115.5825	0.501	6	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]C[6])	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]C[6])	115.8120	0.000	1	115.8120	0.000	1	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]C[6])	116.4630	0.000	1	116.2020	0.136	2	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]C[6])	115.9410	0.000	1	116.2020	0.136	2	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]C[6])	115.6550	0.000	1	115.6550	0.000	1	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	H(CC[6a]C[6])	116.8130	0.000	1	116.8130	0.000	1	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C[6])	115.8960	0.000	1	115.8960	0.000	1	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[6])	114.7833	1.608	3	114.7833	2.586	3	115.6589	1.201	9	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(CC[6a]C[6])	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]C[6])	116.0980	0.000	1	116.0980	0.000	1	115.7925	0.153	6	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	H(CC[6a]C[6])	115.7314	0.404	5	115.7314	0.163	5	115.7925	0.153	6	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NAlC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NAlC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	H(CC[6]N)	116.8460	0.202	3	116.8460	0.041	3	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NCC)(H)	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCC)(H)	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN){2|C<3>}	H(CC[6]N)	113.8053	0.267	3	113.8053	0.071	3	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN){2|C<3>}	H(CC[6]N)	117.2430	0.000	1	117.2430	0.000	1	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN){2|C<3>}	H(CC[6]N)	116.6493	0.155	3	116.6493	0.024	3	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6]Al)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]Al)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	H(CC[6]N)	116.1315	0.135	2	116.1315	0.018	2	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Al)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Al)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	H(CC[6]N)	116.5600	0.098	4	116.5600	0.010	4	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN){2|C<3>}	H(CC[6]N)	118.0450	0.000	1	118.0450	0.000	1	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Ni)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Ni)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	H(CC[6]N)	115.6310	0.000	1	115.6310	0.000	1	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN){1|Fe<10>,2|C<4>,2|H<1>}	H(CC[6]N)	116.5200	0.000	1	116.5200	0.000	1	116.2023	1.379	19	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	H(CC[6a]C[6])	117.2760	0.000	1	117.2760	0.000	1	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	H(CC[6a]C[6])	115.2090	0.000	1	115.2090	0.000	1	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	H(CC[6a]C[6])	115.9473	0.801	15	115.9473	0.642	15	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	H(CC[6a]C[6])	115.4910	1.155	4	115.4910	1.333	4	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	H(CC[6a]C[6])	115.1830	0.794	32	115.1830	0.630	32	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]C[6])	115.3120	0.000	1	115.3120	0.000	1	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]C[6])	116.8200	1.195	2	116.8200	1.428	2	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(CC[6a]C[6])	116.0680	0.000	1	116.0680	0.000	1	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[6])	114.7408	0.870	5	115.2468	1.058	21	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]C[6])	118.5410	0.000	1	115.2468	1.058	21	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|C<4>}	H(CC[6a]C[6])	115.2780	0.000	1	115.2468	1.058	21	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[6])	115.1899	0.677	14	115.2468	1.058	21	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(CC[6a]C[6])	115.1369	0.591	15	115.1369	0.349	15	115.3954	0.822	93	115.6553	2.156	199	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[5,6]O[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[5,6]O[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH){1|N<3>,3|C<3>,3|H<1>}	H(CC[6]C)	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6])(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6])(CCH){1|C<3>,3|H<1>}	H(CC[6]C)	116.7220	0.000	1	116.7220	0.000	1	117.4047	1.185	3	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6])(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6])(CCH){1|C<3>,3|H<1>}	H(CC[6]C)	116.8320	0.000	1	116.8320	0.000	1	117.4047	1.185	3	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:N[6]-2:C-3:	C-3:	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH){4|C<3>}	H(CC[6]C)	118.6600	0.000	1	118.6600	0.000	1	117.4047	1.185	3	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6]C)	117.9260	0.199	3	117.9260	0.040	3	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]MoH)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]MoH)(O[6]C[6])(CCH){1|C<4>,3|H<1>}	H(CC[6]C)	117.0950	0.000	1	117.0950	0.000	1	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCO)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCO)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH){1|H<1>,1|N<3>,4|C<3>}	H(CC[6]C)	116.6090	0.000	1	116.6090	0.000	1	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]C)	117.8213	0.201	3	117.8213	0.040	3	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	116.8560	0.000	1	117.2100	0.251	2	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	117.5640	0.000	1	117.2100	0.251	2	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]C)	115.5910	0.000	1	115.5213	0.022	3	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|N<2>,2|C<3>}	H(CC[6]C)	115.4865	0.193	2	115.5213	0.022	3	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]S[6]HH)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]S[6]HH)(O[6]C[6])(CCH){2|C<3>}	H(CC[6]C)	117.7800	0.000	1	117.7800	0.000	1	117.1221	0.943	14	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH)	H(CC[6]C)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH){1|N<2>,1|O<2>,2|C<3>}	H(CC[6]C)	117.7913	0.866	3	117.7913	0.750	3	117.7913	0.750	3	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H)	H(CC[6]2)	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H){1|H<1>,5|C<3>}	H(CC[6]2)	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[6])	116.1285	0.706	2	116.1285	0.499	2	114.0102	11.364	4	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[6])	114.6890	0.000	1	114.6890	0.000	1	114.0102	11.364	4	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H){1|H<1>,5|C<3>}	H(CC[6a]C[6])	109.0950	0.000	1	109.0950	0.000	1	114.0102	11.364	4	116.3950	5.169	26	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	B[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(B[5]N[5]2)(C[6]C[6]2)(H)	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H)	H(CB[5]C[6])	C(B[5]N[5]2)(C[6]C[6]2)(H)	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H){1|C<3>,1|C<4>,2|H<1>}	H(CB[5]C[6])	114.5470	0.000	1	114.5470	0.000	1	114.8940	0.241	2	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	B[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(B[5]O[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	H(CB[5]C[6])	C(B[5]O[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	H(CB[5]C[6])	115.2410	0.000	1	115.2410	0.000	1	114.8940	0.241	2	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	H(CC[5]C[6])	117.7870	0.000	1	117.7870	0.000	1	117.7870	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	H(CC[5a]C[6])	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<4>,4|H<1>}	H(CC[5a]C[6])	114.4160	0.000	1	114.4160	0.000	1	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H){1|C<4>,2|H<1>}	H(CC[5a]C[6])	116.0300	0.000	1	116.0300	0.000	1	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]C[6])	114.8645	0.708	4	114.8645	0.502	4	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5a]C[6])	118.4060	0.000	1	118.4060	0.000	1	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]C[6])	116.1833	1.050	4	116.1833	1.104	4	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5a]C[6])	114.9200	0.000	1	114.9200	0.000	1	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	H(CC[5a]C[6])	114.5940	0.000	1	114.5940	0.000	1	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]C[6])	114.1530	0.345	2	114.6573	0.396	4	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	H(CC[5a]C[6])	115.1615	0.230	2	114.6573	0.396	4	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[6])	114.2210	0.687	6	114.2210	0.472	6	115.0657	1.419	23	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6,6]C[6])(COO)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH)	H(CC[6]C)	C(C[6]C[5,6,6]C[6])(COO)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH){2|C<3>,3|H<1>,4|C<4>}	H(CC[6]C)	116.5990	0.359	2	116.5990	0.129	2	116.5990	0.129	2	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	H(CC[6]C)	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(CC[6]C)	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6,6]N[6])(COO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	H(CC[6]C)	C(C[6]C[6,6]N[6])(COO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	H(CC[6]C)	117.5367	0.747	3	117.5367	0.558	3	117.5367	0.558	3	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CAlSi)(H)	C[6](C[6]C[6]Al2)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CAlSi)(H)	C[6](C[6]C[6]Al2)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	118.9250	0.000	1	118.9250	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CB[5,5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CB[5,5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	115.9070	0.000	1	115.9070	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	H(CC[6]C)	116.3525	0.284	2	116.3525	0.080	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	114.3330	0.450	2	114.3330	0.202	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.4440	0.376	2	115.4440	0.142	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]C)	116.8560	0.690	4	116.8560	0.477	4	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	115.7660	0.000	1	115.7660	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.3136	2.277	7	116.3136	5.185	7	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.2910	0.000	1	116.2910	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]C)	116.4775	0.496	2	116.4775	0.246	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH){2|H<1>,3|C<3>}	H(CC[6]C)	111.7180	0.000	1	111.7180	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>}	H(CC[6]C)	116.4670	0.000	1	116.4670	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH){1|C<3>,2|C<4>}	H(CC[6]C)	116.8575	0.531	2	116.8575	0.282	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	117.6161	0.407	8	117.5722	0.423	12	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]C)	117.4843	1.073	4	117.5722	0.423	12	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	H(CC[6]C)	116.7650	0.000	1	116.7650	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Pd)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Pd)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	117.5530	0.048	2	117.5530	0.002	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	116.2500	0.000	1	116.2500	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	H(CC[6]C)	117.5240	0.000	1	117.5240	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	116.2373	0.214	3	116.2373	0.046	3	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	116.0360	0.129	4	116.0360	0.017	4	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	116.4370	0.334	9	116.4965	0.096	13	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	116.6302	0.228	4	116.4965	0.096	13	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	117.6370	0.000	1	117.6370	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]C)	115.5330	0.000	1	115.5330	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]C)	114.9910	0.000	1	114.9910	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	117.4890	0.000	1	117.4890	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]C)	117.8425	1.621	2	116.8557	4.236	3	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|N<3>,1|O<1>,2|C<4>}	H(CC[6]C)	114.8820	0.000	1	116.8557	4.236	3	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	117.4930	0.000	1	116.8508	0.508	33	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]C)	116.6740	0.000	1	116.8508	0.508	33	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	H(CC[6]C)	116.8236	0.742	28	116.8508	0.508	33	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|O<1>,2|C<3>}	H(CC[6]C)	116.2930	0.000	1	116.8508	0.508	33	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|O<1>,3|C<4>}	H(CC[6]C)	117.2790	0.489	2	116.8508	0.508	33	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]C)	114.8565	1.172	2	114.8565	1.373	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]C)	116.8350	0.000	1	116.8350	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,4|C<3>}	H(CC[6]C)	116.5330	0.000	1	116.5330	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	117.6390	0.000	1	117.6390	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]C)	116.5600	0.834	2	116.5600	0.696	2	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6]C)	116.8420	0.000	1	116.8420	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]C)	115.6080	0.000	1	115.6080	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.7280	0.000	1	116.7280	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CIrC)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CIrC)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	117.5720	0.000	1	117.5720	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.3140	0.000	1	116.3140	0.000	1	116.6262	1.251	116	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	118.2110	0.000	1	118.2110	0.000	1	118.2509	0.063	7	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){1|C<4>,4|C<3>}	H(CC[6]C)	117.8780	0.000	1	118.2575	0.075	6	118.2509	0.063	7	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){5|C<3>}	H(CC[6]C)	118.3334	0.226	5	118.2575	0.075	6	118.2509	0.063	7	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	H(CC[6]2)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]2)	114.7593	0.546	3	114.7593	0.299	3	114.7593	0.299	3	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[6a]C[6])	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(CC[6a]C[6])	117.6000	0.000	1	117.6000	0.000	1	117.6000	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN){4|C<3>}	H(CC[6]N)	117.5840	1.090	2	117.5840	1.189	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	117.4357	0.130	4	117.4357	0.017	4	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	117.3885	0.237	2	117.3885	0.056	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	118.3660	0.735	2	118.3660	0.541	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HoO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HoO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	118.0565	0.493	2	118.0565	0.243	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	118.3567	0.673	3	118.3567	0.453	3	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	118.3615	0.752	4	118.3615	0.565	4	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	118.1115	0.552	2	118.1115	0.305	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	121.9655	0.169	2	121.9655	0.029	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Si)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Si)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(CC[6]N)	118.6960	0.000	1	118.6960	0.000	1	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Zn)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Zn)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	117.3230	0.936	4	117.3230	0.876	4	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Zr)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Zr)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN){2|Br<1>,1|C<3>}	H(CC[6]N)	118.3620	0.000	1	118.1937	0.029	3	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]Zr)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]Zr)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN){2|Cl<1>,1|C<3>}	H(CC[6]N)	118.1095	0.122	2	118.1937	0.029	3	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCaN)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCaN)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	118.6880	0.305	3	118.6880	0.093	3	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	116.1422	0.520	12	116.1422	0.271	12	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NFeC)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NFeC)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	H(CC[6]N)	122.8256	1.517	5	122.8256	2.300	5	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NHS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NHS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN){3|C<3>,3|H<1>}	H(CC[6]N)	117.6740	0.000	1	117.6740	0.000	1	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	117.0260	0.020	2	117.0260	0.000	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	116.9530	0.226	2	116.4750	0.390	4	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	115.9970	0.453	2	116.4750	0.390	4	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NTiC)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NTiC)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]N)	115.0180	0.000	1	115.0180	0.000	1	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	117.0640	0.000	1	117.0640	0.000	1	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]N)	115.9423	0.299	4	115.9423	0.089	4	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	116.5600	0.212	2	116.5600	0.045	2	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6]N)	117.2572	0.358	6	117.2572	0.128	6	117.7474	3.659	72	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H){1|C<4>,4|H<1>}	H(CC[6]N[5])	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]C[6])	115.6755	0.988	2	115.6755	0.976	2	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	115.9980	0.000	1	115.9980	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6])	116.0930	0.537	2	116.0930	0.289	2	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]C[6])	115.5480	0.000	1	115.5480	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]C[6])	114.7260	0.812	7	114.8900	0.655	10	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	H(CC[6a]C[6])	115.2727	0.809	3	114.8900	0.655	10	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(CC[6a]C[6])	116.2090	0.000	1	116.2090	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H){1|C<4>,3|C<3>}	H(CC[6a]C[6])	115.9490	0.078	2	115.9490	0.006	2	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[6])	114.9913	1.616	4	114.9913	2.612	4	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[6])	116.2740	0.000	1	116.2740	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	115.5315	0.565	2	115.5315	0.319	2	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	115.3170	0.000	1	115.3170	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[6])	115.4802	1.010	83	115.4471	0.989	88	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]C[6])	115.0035	0.169	2	115.4471	0.989	88	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]C[6])	115.4210	0.000	1	115.4471	0.989	88	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	H(CC[6a]C[6])	114.5285	0.421	2	115.4471	0.989	88	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(CC[6a]C[6])	115.8470	0.000	1	115.8470	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	H(CC[6a]C[6])	115.3495	0.196	2	115.3495	0.038	2	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	H(CC[6a]C[6])	114.5214	0.679	7	114.5214	0.461	7	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]C[6])	116.2320	0.270	2	116.2320	0.073	2	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H){1|H<1>,3|C<4>}	H(CC[6a]C[6])	115.5540	0.000	1	115.5540	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]C[6])	115.1195	0.934	2	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6])	114.1125	0.217	2	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]C[6])	115.6518	0.848	6	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[6])	113.9285	0.344	2	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]C[6])	114.5920	0.595	4	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	H(CC[6a]C[6])	115.2381	0.836	34	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	H(CC[6a]C[6])	114.0637	0.771	4	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	H(CC[6a]C[6])	115.4464	0.842	14	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	H(CC[6a]C[6])	116.0540	0.728	2	115.1615	0.812	70	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	H(CC[6a]C[6])	115.5690	0.000	1	115.5690	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	H(CC[6a]C[6])	112.8800	0.000	1	112.8800	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	H(CC[6a]C[6])	114.5477	0.930	4	114.5477	0.866	4	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[6])	116.3730	0.000	1	116.3730	0.000	1	115.2907	0.925	205	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:3:3:	3:	N[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H)	H(CN[6a]C[6])	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CN[6a]C[6])	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	116.1324	2.463	441	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	H(CC[5]C[6])	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H)	H(CC[5a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5a]C[6])	115.9315	0.415	2	115.9315	0.172	2	115.9315	0.172	2	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	114.3458	0.459	5	114.3458	0.210	5	115.9458	1.558	15	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	116.7511	0.470	9	116.7511	0.221	9	115.9458	1.558	15	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	116.6980	0.000	1	116.6980	0.000	1	115.9458	1.558	15	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(COO)(H)	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(COO)(H)	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(CC[6]C)	120.7290	0.000	1	120.7290	0.000	1	118.7080	8.169	2	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(COO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(COO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	116.6870	0.000	1	116.6870	0.000	1	118.7080	8.169	2	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	116.8140	0.000	1	116.8140	0.000	1	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[5]C)(H)	C[6](C[6]C[6]HH)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]C)(H)	C[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	117.7130	0.000	1	117.7130	0.000	1	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH){1|H<1>,2|C<4>,2|O<2>}	H(CC[6]C)	116.3590	0.525	2	116.3590	0.275	2	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]N)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]N)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH){1|O<2>,2|H<1>,4|C<3>}	H(CC[6]C)	117.1050	0.000	1	117.1050	0.000	1	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6]C)	116.5810	0.000	1	116.5810	0.000	1	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]BrH)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]BrH)2(CCH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6]C)	116.6790	0.000	1	116.6790	0.000	1	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]HH)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.6090	0.000	1	116.6090	0.000	1	116.7774	0.241	8	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(CC[6]H)	H(CC[6]2)	C(C[6]C[5,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(CC[6]H){1|C<4>,4|H<1>}	H(CC[6]2)	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(CC[6a]C[6])	115.9740	0.000	1	115.9740	0.000	1	116.2118	3.844	5	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C[6])	116.2712	2.259	4	116.2712	5.102	4	116.2118	3.844	5	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(CC[6a]C[6])	115.3260	0.000	1	115.3260	0.000	1	116.0326	0.365	5	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(CC[6a]C[6])	116.6590	0.124	2	116.6590	0.015	2	116.0326	0.365	5	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(CC[6a]C[6])	115.7595	0.104	2	115.7595	0.011	2	116.0326	0.365	5	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(CC[6a]C[6])	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN){1|N<3>,2|H<1>,3|C<3>}	H(CC[6]N)	118.4380	0.000	1	118.4380	0.000	1	117.6405	1.272	2	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(NC[6a]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NC[6a]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN){1|C<4>,2|H<1>,4|C<3>}	H(CC[6]N)	116.8430	0.000	1	116.8430	0.000	1	117.6405	1.272	2	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N-3:H-1:	P[6]-4:P[6]-4:C-3:	C-3:	C(C[6]P[6]2)(NBH)(H)	C[6](P[6]C[6a]2N[6])2(CHN)	H(CC[6]N)	C(C[6]P[6]2)(NBH)(H)	C[6](P[6]C[6a]2N[6])2(CHN){10|C<3>,1|B<4>}	H(CC[6]N)	115.5500	0.000	1	115.5500	0.000	1	115.5500	0.000	1	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]N[5])	119.2425	3.606	2	119.2425	13.000	2	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]N[5])	121.4760	0.000	1	121.4760	0.000	1	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H){2|H<1>,4|C<3>}	H(CC[6]N[5])	117.5270	0.000	1	117.5270	0.000	1	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H){2|H<1>,4|C<3>}	H(CC[6]N[5])	117.7340	0.000	1	117.7340	0.000	1	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]N[5])	115.5747	0.510	3	115.8115	0.398	4	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){3|C<3>,3|H<1>}	H(CC[6]N[5])	116.5220	0.000	1	115.8115	0.398	4	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6]N[5])	117.2700	0.000	1	117.2700	0.000	1	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]N[5])	117.6470	0.000	1	117.6470	0.000	1	117.5805	4.754	11	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[6])	116.4630	0.000	1	116.4630	0.000	1	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H){1|C<3>,1|S<4>,2|C<4>}	H(CC[6a]C[6])	115.6590	1.278	3	115.6590	1.634	3	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(CC[6a]C[6])	115.6900	0.000	1	115.6900	0.000	1	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[6])	113.5230	0.000	1	113.5230	0.000	1	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	114.4480	0.000	1	114.4480	0.000	1	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]C[6])	115.7025	0.011	2	115.7025	0.000	2	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	H(CC[6a]C[6])	115.4550	0.000	1	115.8125	0.256	2	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)2(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,2|S<4>}	H(CC[6a]C[6])	116.1700	0.000	1	115.8125	0.256	2	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	H(CC[6a]C[6])	115.3090	0.000	1	115.3090	0.000	1	115.4533	0.897	12	116.4161	2.400	66	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	5:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-5:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NDyN)(H)	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NDyN)(H)	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	H(CC[6]N)	118.1645	0.322	2	118.1645	0.104	2	118.1625	0.152	8	118.1625	0.152	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	5:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-5:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NHoN)(H)	C[6](C[6]C[6]Ho2O)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NHoN)(H)	C[6](C[6]C[6]Ho2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	H(CC[6]N)	118.1290	0.308	2	118.1290	0.095	2	118.1625	0.152	8	118.1625	0.152	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	5:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-5:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NTbN)(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NTbN)(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	H(CC[6]N)	117.8975	0.346	2	117.8975	0.120	2	118.1625	0.152	8	118.1625	0.152	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:3:1:	5:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-5:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(NTbO)(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN)	H(CC[6]N)	C(C[6]C[6]2)(NTbO)(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	H(CC[6]N)	118.4590	0.655	2	118.4590	0.429	2	118.1625	0.152	8	118.1625	0.152	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-2:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCCH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCH){2|C<4>}	H(CC[6]C)	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	115.7725	4.098	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:S-4:H-1:	S[6]-2:N[6]-3:C-3:	C-3:	C(C[6]N[6]S[6])(SC[6a]OO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	H(CC[6]S)	C(C[6]N[6]S[6])(SC[6a]OO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]S)	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	115.7725	4.098	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]O[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH){1|N<2>,3|C<3>}	H(CC[6]C)	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	112.5557	38.162	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCH){1|C<2>,1|C<4>,1|H<1>}	H(CC[6]C)	104.5250	0.000	1	104.5250	0.000	1	105.1150	0.696	2	112.5557	38.162	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-2:C-3:	C-3:	C(C[6]C[6]2)(CHHS)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHHS)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	105.7050	0.000	1	105.7050	0.000	1	105.1150	0.696	2	112.5557	38.162	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(CC[6]C)	117.4700	0.000	1	117.4700	0.000	1	117.4700	0.000	1	112.5557	38.162	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:C-3:	C-3:	C(C[6]N[6]2)(CC3)(H)	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH)	H(CC[6]C)	C(C[6]N[6]2)(CC3)(H)	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH){3|C<3>}	H(CC[6]C)	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.5557	38.162	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:Si-4:H-1:	C[6]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH)	H(CC[6]Si)	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH){5|C<3>}	H(CC[6]Si)	119.3290	0.000	1	119.3290	0.000	1	119.3290	0.000	1	112.5557	38.162	6	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	H(CC[6]C)	C(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	H(CC[6]C)	116.3050	0.000	1	116.1635	0.040	2	116.1635	0.040	2	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	H(CC[6]C)	C(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	H(CC[6]C)	116.0220	0.000	1	116.1635	0.040	2	116.1635	0.040	2	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCFF)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCFF)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	116.6900	0.000	1	116.6900	0.000	1	116.5558	1.374	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|H<1>,1|O<2>,4|C<3>}	H(CC[6]C)	114.8590	0.000	1	116.5110	2.049	3	116.5558	1.374	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	H(CC[6]C)	117.3370	0.072	2	116.5110	2.049	3	116.5558	1.374	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[5,6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[5,6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(CC[6]C)	115.9415	0.272	2	115.9415	0.074	2	115.9415	0.074	2	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(CC[6a]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CC[6a]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]O)2(CCH){1|C<4>,3|H<1>}	H(CC[6]C)	113.2570	0.000	1	113.2570	0.000	1	111.0530	9.715	2	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	H(CC[6]C)	108.8490	0.000	1	108.8490	0.000	1	111.0530	9.715	2	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH){1|O<1>,2|C<4>}	H(CC[6]C)	116.3700	0.000	1	116.3700	0.000	1	116.0750	0.129	3	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]C)	115.9275	0.356	2	115.9275	0.127	2	116.0750	0.129	3	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	H(CC[6]P)	121.4197	0.048	3	121.4197	0.002	3	121.4197	0.002	3	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[3x6]-3:C[6]-3:C-3:	C-3:	C(C[6]N[3x6]C[6])(PCCN)(H)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]N[3x6]C[6])(PCCN)(H)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6]P)	115.3980	0.000	1	115.3980	0.000	1	115.3980	0.000	1	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	114.5955	0.882	2	114.5955	0.778	2	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	123.5217	0.091	3	123.5217	0.008	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHP){1|C<3>,2|H<1>}	H(CC[6]P)	117.8820	0.000	1	117.8820	0.000	1	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]P)	116.2840	0.000	1	118.3057	3.526	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|P<4>}	H(CC[6]P)	119.9950	0.000	1	118.3057	3.526	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,2|H<1>}	H(CC[6]P)	118.6380	0.000	1	118.3057	3.526	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	123.7490	0.000	1	123.7490	0.000	1	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	123.0885	0.086	2	123.0885	0.007	2	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	120.1900	0.000	1	120.4653	0.057	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]P)	120.6030	0.000	2	120.4653	0.057	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHP){1|Fe<6>,1|C<3>,1|C<4>}	H(CC[6]P)	122.0440	0.172	3	122.0440	0.030	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	120.3925	1.708	2	120.3925	2.916	2	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PLiCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PLiCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]P)	119.3090	0.000	1	119.3090	0.000	1	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	121.1310	1.402	4	121.1310	1.966	4	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	122.2480	0.048	2	122.2378	0.004	4	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	122.2275	0.090	2	122.2378	0.004	4	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	121.4057	0.128	3	121.4057	0.016	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	120.2945	1.690	4	120.2945	2.855	4	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PPtCC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PPtCC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	120.5650	0.215	2	120.5650	0.046	2	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	121.0650	0.000	1	121.0650	0.000	1	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]P)	116.6940	0.000	1	116.6940	0.000	1	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	121.7210	0.033	2	121.2858	0.184	6	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]P)	120.9063	0.135	3	121.2858	0.184	6	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	H(CC[6]P)	121.5540	0.000	1	121.2858	0.184	6	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(PZnCC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PZnCC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]P)	119.7427	0.062	3	119.7427	0.004	3	120.7103	4.412	49	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(SIrCO)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHS)	H(CC[6]S)	C(C[6]C[6]N[6])(SIrCO)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]S)	121.1020	0.173	2	121.1020	0.030	2	121.0855	0.012	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(SRhCO)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHS)	H(CC[6]S)	C(C[6]C[6]N[6])(SRhCO)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]S)	121.0690	0.061	2	121.0690	0.004	2	121.0855	0.012	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	H(CC[6]Si)	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]Si)	115.1775	0.240	2	114.6285	0.427	4	114.6285	0.427	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	H(CC[6]Si)	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	H(CC[6]Si)	114.0795	0.138	2	114.6285	0.427	4	114.6285	0.427	4	119.4209	9.360	75	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CC[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CC[5]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(CC[6]C)	114.9210	0.041	2	114.9210	0.002	2	114.9210	0.002	2	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:C[6,6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6,6])(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6,6])(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH){1|C<4>,4|C<3>,4|H<1>}	H(CC[6]C)	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH){1|C<4>,1|S<4>,2|C<3>}	H(CC[6]C)	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:B[6]-4:C-3:	C-3:	C(C[6]C[6,6a]B[6])(CC3)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]B[6])(CC3)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	H(CC[6]C)	112.2560	0.033	2	112.2560	0.001	2	112.2560	0.001	2	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(CC[6]C)	135.1730	0.000	1	135.1730	0.000	1	135.1730	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	H(CC[6]C)	113.5140	0.000	1	113.5140	0.000	1	115.8790	2.600	6	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|H<1>,1|O<1>,5|C<3>}	H(CC[6]C)	115.6410	0.000	1	115.1715	0.441	2	115.8790	2.600	6	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	H(CC[6]C)	114.7020	0.000	1	115.1715	0.441	2	115.8790	2.600	6	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	117.5020	0.000	1	117.5020	0.000	1	115.8790	2.600	6	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6]C)	117.6670	0.000	1	116.9575	1.007	2	115.8790	2.600	6	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6]C)	116.2480	0.000	1	116.9575	1.007	2	115.8790	2.600	6	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH){1|H<1>,3|C<3>}	H(CC[6]C)	117.3635	1.053	2	117.3635	1.109	2	117.3635	1.109	2	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H)	H(CC[6]2)	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H){1|C<3>,3|H<1>,6|C<4>}	H(CC[6]2)	116.8835	0.046	2	116.8835	0.002	2	116.8835	0.002	2	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H)	H(CC[6]2)	C(C[6]C[6,6a]C[6])(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H){1|C<4>,1|H<1>,4|C<3>}	H(CC[6]2)	116.0010	0.000	1	116.0010	0.000	1	116.0010	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]HH)(CHP)	H(CC[6]P)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]HH)(CHP){2|C<3>,2|H<1>}	H(CC[6]P)	124.1070	0.000	1	124.1070	0.000	1	124.1070	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:P[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(P[6]O[6]2O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	H(CC[6]P[6])	C(C[6]C[5a,6]C[6])(P[6]O[6]2O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	H(CC[6]P[6])	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:P[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(P[6]O[6]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H)	H(CC[6]P[6])	C(C[6]C[6,6a]C[6])(P[6]O[6]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H){1|H<1>,3|C<3>}	H(CC[6]P[6])	112.6700	0.000	1	112.6700	0.000	1	112.6700	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:S-4:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS)	H(CC[6]S)	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6]S)	124.4260	0.000	1	124.4260	0.000	1	120.4720	31.268	2	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:S-4:H-1:	C[5a,6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS)	H(CC[6]S)	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS){2|C<3>,2|H<1>,2|N<3>}	H(CC[6]S)	116.5180	0.000	1	116.5180	0.000	1	120.4720	31.268	2	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	3:4:3:	3:	C[6]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(SiC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH)	H(CC[6]Si)	C(C[6]C[6,6a]C[6])(SiC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH){1|N<3>,3|H<1>,4|C<3>}	H(CC[6]Si)	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	116.8312	24.945	24	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(CCHH)(H)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6]O[6])(CCHH)(H)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH){2|O<2>,4|C<3>}	H(CC[6]C)	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	116.9490	0.845	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:2:3:	3:	C[6]-3:N[6]-4:H-1:	C[6]-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H)	H(CC[6]N[6])	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H){1|O<2>,2|C<4>}	H(CC[6]N[6])	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	116.9490	0.845	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	B[6]-4:S[6]-3:C-3:	C-3:	C(C[6]B[6]S[6])(CC3)(H)	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH)	H(CC[6]C)	C(C[6]B[6]S[6])(CC3)(H)	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH){1|C<4>,7|C<3>}	H(CC[6]C)	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(CC[6]C)	117.5165	0.387	2	117.5165	0.150	2	116.9917	0.901	3	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH){2|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	115.9420	0.000	1	115.9420	0.000	1	116.9917	0.901	3	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[5,6]N[6])(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	H(CC[6]C)	C(C[6]C[5,6]N[6])(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]C)	113.5910	0.000	1	113.5910	0.000	1	114.9290	3.580	2	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[5,6]N[6])(CH3)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[5,6]N[6])(CH3)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[6]C)	116.2670	0.000	1	116.2670	0.000	1	114.9290	3.580	2	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	115.6590	0.000	1	115.6590	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|S<4>,3|C<4>}	H(CC[6]C)	114.2850	0.000	1	114.2850	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	116.6870	0.257	2	116.6870	0.066	2	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CCHO)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHO)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	H(CC[6]C)	116.6280	0.000	1	116.6280	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6]HH)(H)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]HH)(H)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	118.8927	0.114	3	118.8927	0.013	3	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]CC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]CC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH){1|C<4>,3|H<1>}	H(CC[6]C)	113.1190	0.000	1	113.1190	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6]C)	115.8790	0.000	1	115.8790	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH){2|C<3>,2|S<2>}	H(CC[6]C)	116.5560	0.000	1	116.5560	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.4960	0.000	1	116.4960	0.000	1	116.5562	3.159	12	116.2304	3.495	18	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,4|C<4>}	H(CC[6]C)	118.3060	0.000	1	118.3060	0.000	1	115.9630	4.887	3	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[6]C)	115.6690	0.000	1	115.6690	0.000	1	115.9630	4.887	3	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CH3)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH){3|C<4>,4|H<1>}	H(CC[6]C)	113.9140	0.000	1	113.9140	0.000	1	115.9630	4.887	3	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]C)	115.7260	0.000	1	115.7260	0.000	1	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	116.3483	0.242	3	116.6427	0.386	4	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){3|C<4>,4|H<1>}	H(CC[6]C)	117.5260	0.000	1	116.6427	0.386	4	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(CC[6]C)	115.8585	0.425	2	115.9487	0.115	3	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]C)	116.1290	0.000	1	115.9487	0.115	3	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(CC[6]C)	115.4690	0.000	1	116.2044	0.710	5	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(CC[6]C)	115.2420	0.000	1	116.2044	0.710	5	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]C)	116.7703	0.453	3	116.2044	0.710	5	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){3|H<1>,4|C<4>}	H(CC[6]C)	119.0721	1.501	9	119.0383	1.174	62	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6,6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	119.0325	1.015	53	119.0383	1.174	62	118.5538	2.175	75	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	H(CC[6]C)	114.6660	0.000	1	114.6660	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(CC[6]C)	118.6800	0.000	1	118.6800	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH){1|B<4>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[6]C)	116.4140	0.000	1	116.4140	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6]C)	114.5160	0.000	1	114.5160	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]HO)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]HO)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH){1|C<3>,2|H<1>}	H(CC[6]C)	113.7250	0.000	1	113.7250	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	H(CC[6]C)	116.2612	0.349	5	116.2612	0.122	5	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>}	H(CC[6]C)	115.8510	0.000	1	116.0135	0.053	2	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){2|H<1>,3|C<4>}	H(CC[6]C)	116.1760	0.000	1	116.0135	0.053	2	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6]C)	116.4270	0.000	1	116.4270	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	H(CC[6]C)	115.7040	0.000	1	115.7040	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH){2|C<4>,2|H<1>}	H(CC[6]C)	115.2400	0.000	1	115.2400	0.000	1	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	H(CC[6]C)	116.3265	0.262	2	116.3265	0.069	2	115.9622	1.156	17	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C-4:H-1:	Ga[6]-4:Ge[6]-4:C-3:	C-3:	C(C[6]Ga[6]Ge[6])(CC3)(H)	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH)	H(CC[6]C)	C(C[6]Ga[6]Ge[6])(CC3)(H)	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH){2|C<3>}	H(CC[6]C)	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)	H(CC[6]2)	C(C[6]C[5,6]C[6])(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[6]2)	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(SiC3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH)	H(CC[6]Si)	C(C[6]C[6]2)(SiC3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH){2|C<4>,2|H<1>}	H(CC[6]Si)	113.5780	0.000	1	113.5780	0.000	1	113.6395	0.008	2	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	3:4:1:	4:4:3:	3:	C[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2)(SiSi3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH)	H(CC[6]Si)	C(C[6]C[6]2)(SiSi3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]Si)	113.7010	0.000	1	113.7010	0.000	1	113.6395	0.008	2	117.8474	3.703	99	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	3:2:3:	3:	C[5]-4:C[6]-3:H-1:	S[6]-3:S[6]-2:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6]S[6]2)(H)	C[6](S[6]C[6]Pd)(S[6]C[6])(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]2Fe)(C[6]S[6]2)(H)	C[6](S[6]C[6]Pd)(S[6]C[6])(CC[5]H){1|C<4>,4|H<1>}	H(CC[5]C[6])	114.9580	0.161	2	114.9580	0.026	2	114.9580	0.026	2	114.9580	0.026	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	3:3:3:	3:	C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[3]Si[3,5]C[3]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	H(CC[3]C[6])	C(C[3]Si[3,5]C[3]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	H(CC[3]C[6])	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	115.7508	16.477	4	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	H(CC[6,6]C[6])	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	H(CC[6,6]C[6])	114.5430	0.000	1	114.5430	0.000	1	114.5430	0.000	1	115.7508	16.477	4	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H)	H(CC[6]2)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H){1|H<1>,2|C<4>}	H(CC[6]2)	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	115.7508	16.477	4	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	3:3:3:	3:	P[5]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C-3:	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]H)	H(CC[6]P[5])	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]H){1|H<1>,2|C<3>}	H(CC[6]P[5])	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	115.7508	16.477	4	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	4:3:3:	3:	C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C[6])	114.1475	0.080	2	114.1475	0.006	2	114.9870	0.360	8	114.9870	0.360	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	4:3:3:	3:	C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]C[6])	115.0200	0.253	2	115.2668	0.127	6	114.9870	0.360	8	114.9870	0.360	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	4:3:3:	3:	C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,2|C<4>}	H(CC[5]C[6])	115.3903	0.359	4	115.2668	0.127	6	114.9870	0.360	8	114.9870	0.360	8	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	4:4:3:	3:	C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]O[5]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(CC[5]H)	H(CC[5]C[6])	C(C[5]C[5]O[5]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	H(CC[5]C[6])	116.6070	0.000	1	116.6070	0.000	1	116.6070	0.000	1	115.8835	1.047	2	118.1847	9.714	4390	118.1998	9.488	4581
930	762	951	0:SP2_SP-NON_SP2	C	C[6]	H	4:3:1:	4:4:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)	H(CC[6]2)	C(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H){1|C<4>,4|H<1>}	H(CC[6]2)	115.1600	0.000	1	115.1600	0.000	1	115.1600	0.000	1	115.8835	1.047	2	118.1847	9.714	4390	118.1998	9.488	4581