643	643	769	0:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[4,6a]-3:C[4]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a]C[6a]H)(H)	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a,6a]C[4])(C[4]C[4]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a,6a]C[4])(C[4]C[4]P){1|H<1>,1|P<3>,4|C<3>}	123.7405	0.037	2	123.7405	0.001	2	123.7405	0.001	2	123.7405	0.001	2	124.6410	2.433	3	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[4,6a]-3:C[4]-4:	C[6a,6a](C[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a]C[6a]H)(H)	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]C)	C[6a,6a](C[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]C){4|H<1>,5|C<3>}	126.4420	0.000	1	126.4420	0.000	1	126.4420	0.000	1	126.4420	0.000	1	124.6410	2.433	3	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4a,6a]	3:3:3:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[4a,6a]C[4a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]2)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[4a,6a]C[4a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]2)(H){6|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	124.6570	0.000	1	124.6570	0.000	1	124.6570	0.000	1	124.6570	0.000	1	124.6570	0.000	1	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.6397	0.779	3	124.6397	0.607	3	123.4365	2.475	6	123.0361	1.684	10	122.9147	1.678	11	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]C)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.1360	0.000	1	123.1360	0.000	1	123.4365	2.475	6	123.0361	1.684	10	122.9147	1.678	11	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.7820	1.120	2	121.7820	1.255	2	123.4365	2.475	6	123.0361	1.684	10	122.9147	1.678	11	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[4,6a])(C[6a]C[6a]H)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[4,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	122.4355	0.353	4	122.4355	0.125	4	122.4355	0.125	4	123.0361	1.684	10	122.9147	1.678	11	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:4:	C[4,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4,6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[4,6a]C[5,6a])(C[6a]C[6a]H)2	C[4,6a](C[6a]C[5,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[4,6a]C[5,6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[4,6a](C[6a]C[5,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[4]HH){1|C<4>,3|C<3>,3|H<1>}	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	122.9147	1.678	11	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[4a,6a]C[6a,6a])(C[6a]C[6a]H)2	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[4a,6a]C[6a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	122.2165	1.324	2	122.2165	1.754	2	122.2165	1.754	2	122.2165	1.754	2	122.2165	1.754	2	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a]	3:3:3:	3:3:1:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H)	C[4a](C[4a]C[4a]C)(C[4a]C[4a]O)(C[6a]C[6a]2)	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2{1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4a](C[4a]C[4a]C)(C[4a]C[4a]O)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>}	120.3335	2.377	2	120.3335	5.648	2	121.1086	1.196	32	121.1259	1.189	34	121.2758	1.099	42	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a]	3:3:3:	3:3:1:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H)	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2)	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>}	120.1340	0.158	2	121.1603	1.039	30	121.1086	1.196	32	121.1259	1.189	34	121.2758	1.099	42	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a]	3:3:3:	3:3:1:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H)	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2)	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	121.4248	1.175	6	121.1603	1.039	30	121.1086	1.196	32	121.1259	1.189	34	121.2758	1.099	42	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a]	3:3:3:	3:3:1:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H)	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2)	C[6a](C[4a]C[4a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>}	121.1814	0.992	22	121.1603	1.039	30	121.1086	1.196	32	121.1259	1.189	34	121.2758	1.099	42	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)2(C[4a]C[4a]2)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[4a]C[6a])(H)	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)2(C[4a]C[4a]2){2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[4a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>}	121.4030	1.413	2	121.4030	1.996	2	121.4030	1.996	2	121.1259	1.189	34	121.2758	1.099	42	121.8919	2.293	60
643	643	769	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4a]	3:3:3:	3:3:2:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[4a]-3:C[4a]-3:C[6a]-3:	C[6a](C[4a]C[4a]2)(C[6a]C[6a]O)2	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH)	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2)	C[6a](C[4a]C[4a]2)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,3|C<3>}	C[4a](C[4a]C[4a]O)2(C[6a]C[6a]2){2|O<2>,3|C<3>}	121.9126	0.514	8	121.9126	0.264	8	121.9126	0.264	8	121.9126	0.264	8	121.2758	1.099	42	121.8919	2.293	60
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[4,6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	114.9890	0.000	1	114.9890	0.000	1	114.9890	0.000	1	115.0263	0.031	3	115.0277	0.020	4	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:C[4]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a,6a]C[4])(C[4]C[4]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[4,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a,6a]C[4])(C[4]C[4]P){1|H<1>,1|P<3>,4|C<3>}	115.0450	0.243	2	115.0450	0.059	2	115.0450	0.059	2	115.0263	0.031	3	115.0277	0.020	4	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:4:	C[4,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:C[4]-4:	C[6a,6a](C[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[4,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]C)	C[6a,6a](C[4,6a]C[4,6a]C[4])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[4,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[4,6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]C){4|H<1>,5|C<3>}	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	115.0277	0.020	4	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	C[4a,6a]	3:3:3:	3:3:3:	3:3:3:	C[4a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[4a,6a]C[4a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[6a]C[4a,6a]H)(C[6a]C[6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[4a,6a]C[4a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[6a]C[4a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.1875	0.003	2	114.1875	0.003	2	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	C[4a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	114.2230	0.000	1	114.2230	0.000	1	114.2230	0.000	1	114.1875	0.003	2	114.1875	0.003	2	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a](C[4,6a,6a]C[4,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[4,6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[4,6a,6a](C[4,6a]C[6a]B[4])2(C[6a,6a]C[6a]2)	C[6a,6a](C[4,6a,6a]C[4,6a]2)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[4,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4,6a,6a](C[4,6a]C[6a]B[4])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	113.7310	0.191	2	113.7310	0.036	2	114.4017	0.455	6	114.4017	0.455	6	114.4017	0.455	6	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a](C[4,6a,6a]C[4,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[4,6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[4,6a,6a](C[4,6a]C[6a]P[4])2(C[6a,6a]C[6a]2)	C[6a,6a](C[4,6a,6a]C[4,6a]2)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[4,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4,6a,6a](C[4,6a]C[6a]P[4])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	114.3270	0.272	2	114.3270	0.074	2	114.4017	0.455	6	114.4017	0.455	6	114.4017	0.455	6	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a,6a]-3:	C[6a,6a](C[4,6a,6a]C[4,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[4,6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[4,6a,6a](C[4,6a]C[6a]Si[4])2(C[6a,6a]C[6a]2)	C[6a,6a](C[4,6a,6a]C[4,6a]2)(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[4,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4,6a,6a](C[4,6a]C[6a]Si[4])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	115.1470	0.376	2	115.1470	0.142	2	114.4017	0.455	6	114.4017	0.455	6	114.4017	0.455	6	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a,6a]	C[6a]	C[4a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[6a]C[4a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[6a]C[4a,6a]H)(H){5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6,6a]	C[4,6a]	3:3:1:	3:3:3:	4:3:3:	C[4,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6,6a]H)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.8113	0.162	4	115.8113	0.026	4	115.8113	0.026	4	115.8113	0.026	4	115.8113	0.026	4	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4,6a]C[4,6a]2)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4,6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4,6a]C[4,6a]2)(H){1|B<3>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H){1|B<3>,2|H<1>,3|C<3>}	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	116.6784	0.041	5	115.9395	0.866	22	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[4,6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(H){1|C<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[4,6a]H){1|C<2>,1|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	116.6887	0.234	4	116.6887	0.055	4	116.6887	0.055	4	116.6784	0.041	5	115.9395	0.866	22	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4,6a]	3:3:1:	3:3:3:	4:3:3:	C[6a,6a]-3:C[4,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4,4])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]H)(C[6a]C[6a]H)	C[4,6a](C[4,4]C[4,6a]C[4,4]C)(C[4,6a]C[4,4]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4,4])(H){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[4,6a](C[4,4]C[4,6a]C[4,4]C)(C[4,6a]C[4,4]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	117.0230	0.402	4	117.0230	0.162	4	117.0230	0.162	4	117.0230	0.162	4	115.9395	0.866	22	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C){2|C<2>,4|C<3>}	115.2836	0.293	8	115.2836	0.086	8	115.2836	0.086	8	115.5359	0.350	10	115.9395	0.866	22	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]O)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]O){2|O<2>,4|C<3>}	116.5450	0.038	2	116.5450	0.001	2	116.5450	0.001	2	115.5359	0.350	10	115.9395	0.866	22	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a]C[4,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a]C[4,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	114.6083	0.058	3	114.6083	0.003	3	114.6083	0.003	3	114.6083	0.003	3	115.9395	0.866	22	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:1:	3:3:3:	3:3:3:	C[4a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[6a]-3:Si[4a]-3:	C[6a](C[4a,6a]C[4a,6a]Si[4a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a,6a]H)	C[4a,6a](C[4a,6a]Si[4a]C[6a])(C[6a]C[6a,6a]H)(Si[4a]Si[4a]C)	C[6a](C[4a,6a]C[4a,6a]Si[4a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Si<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a,6a]H){1|Si<3>,2|H<1>,3|C<3>}	C[4a,6a](C[4a,6a]Si[4a]C[6a])(C[6a]C[6a,6a]H)(Si[4a]Si[4a]C){1|C<4>,1|H<1>,2|C<3>}	121.1840	0.048	2	121.1840	0.002	2	121.1747	0.001	3	118.5536	6.024	7	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:1:	3:3:3:	3:3:3:	C[4a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[6a]-3:Si[4a]-3:	C[6a](C[4a,6a]C[4a,6a]Si[4a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a]H)	C[4a,6a](C[4a,6a]Si[4a]C[6a])(C[6a]C[6a,6a]H)(Si[4a]Si[4a]C)	C[6a](C[4a,6a]C[4a,6a]Si[4a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Si<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a]H){1|Si<3>,2|C<3>,3|H<1>}	C[4a,6a](C[4a,6a]Si[4a]C[6a])(C[6a]C[6a,6a]H)(Si[4a]Si[4a]C){1|C<4>,1|H<1>,2|C<3>}	121.1560	0.000	1	121.1560	0.000	1	121.1747	0.001	3	118.5536	6.024	7	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[4a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]2)(H)	C[6a,6a](C[4a,6a]C[4a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]2)(H){6|C<3>}	C[6a,6a](C[4a,6a]C[4a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H){2|H<1>,5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	118.5536	6.024	7	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4a,6a]C[4a,6a]2)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4a,6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4a,6a]C[4a,6a]2)(H){1|B<3>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|B<3>,2|H<1>,3|C<3>}	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	118.5536	6.024	7	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a,6a]C)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(H){1|C<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	116.7085	0.104	2	116.7085	0.011	2	116.7085	0.011	2	118.5536	6.024	7	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a]C[4a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a]C[4a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	114.7205	0.097	2	114.7205	0.009	2	114.7205	0.009	2	114.7205	0.009	2	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]C)(C[6a]C[6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,5|C<3>}	114.4765	0.076	2	114.4765	0.006	2	114.4072	0.007	6	114.4072	0.007	6	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[4a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]C)(C[6a]C[6a]H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,4|C<3>}	114.3725	0.070	4	114.3725	0.005	4	114.4072	0.007	6	114.4072	0.007	6	116.3839	7.008	15	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[4,6a]Br)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Br)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Br){1|P<3>,2|H<1>,3|C<3>}	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)(H){4|C<3>}	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)(H){4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.6265	0.199	4	117.6265	0.040	4	117.6265	0.040	4	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4a,6a]H)(H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4a,6a]H)(H){4|C<3>}	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4,6a]H)(H){4|C<3>}	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.2380	0.000	1	118.2380	0.000	1	118.2380	0.000	1	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H){1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.5540	0.089	4	120.5540	0.008	4	120.5540	0.008	4	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a,6a]H)(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(H){1|C<4>,4|C<3>}	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.9475	0.364	2	115.9475	0.133	2	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|B<4>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	114.6710	0.437	7	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|B<5>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|B<5>,2|H<1>,3|C<3>}	115.0357	0.037	3	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	115.8600	0.000	1	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	115.5752	0.351	4	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	115.0470	0.000	1	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.4984	0.296	17	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	115.6150	0.098	2	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	115.9075	0.067	2	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	116.2216	0.465	8	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|Sb<3>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Sb<3>,2|H<1>,3|C<3>}	115.2985	0.250	2	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.5903	0.611	11	115.5068	0.329	58	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.2670	0.000	1	115.2670	0.000	1	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.7670	0.000	1	115.7670	0.000	1	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[4,6a]H)(H){1|Co<9>,1|C<2>,2|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	116.0270	0.000	1	116.0270	0.000	1	115.5293	0.317	63	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2){1|C<4>,2|C<3>,4|H<1>}	115.8420	0.000	1	115.8420	0.000	1	115.9525	0.024	2	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]O){1|C<3>,2|C<4>,2|H<1>}	116.0630	0.000	1	116.0630	0.000	1	115.9525	0.024	2	115.9777	1.789	76	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[4,6a]F)(C[6a]C[6a]F)(F)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]F)(C[4]C[4]FF)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,3|F<1>}	C[6a](C[6a]C[4,6a]F)(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]F)(C[4]C[4]FF){1|C<3>,4|F<1>}	116.6450	0.000	1	116.6450	0.000	1	116.6450	0.000	1	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	117.7620	0.000	1	117.7620	0.000	1	117.7620	0.000	1	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,4|H<1>}	116.5610	0.147	2	116.5610	0.022	2	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO){1|C<3>,2|C<4>,2|H<1>}	116.7230	0.000	1	116.7230	0.000	1	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	115.8990	0.000	1	116.6610	1.161	2	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.4230	0.000	1	116.6610	1.161	2	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.5265	0.026	2	115.5265	0.001	2	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){1|C<3>,1|C<4>,3|H<1>}	115.8770	0.000	1	115.4803	0.119	3	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){2|C<3>,3|H<1>}	115.2520	0.000	1	115.4803	0.119	3	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){1|C<3>,1|C<4>,3|H<1>}	115.3120	0.000	1	115.4803	0.119	3	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO){1|C<3>,4|H<1>}	115.9122	0.404	5	115.9122	0.163	5	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.8843	0.287	7	115.8735	0.072	8	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){2|C<3>,2|H<1>}	115.7980	0.000	1	115.8735	0.072	8	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,4|H<1>}	117.2220	0.000	1	117.2220	0.000	1	116.0180	0.327	24	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:N[4]-4:	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC)	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC){2|Cl<1>,1|C<3>,2|H<1>}	113.9350	0.000	1	114.4193	0.218	3	114.4193	0.218	3	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:N[4]-4:	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC)	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC){2|H<1>,3|C<3>}	114.6615	0.289	2	114.4193	0.218	3	114.4193	0.218	3	115.9344	0.673	29	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[4,5])(C[4]C[4,5]HH)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[4,6a]C[4,5])(C[4]C[4,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	118.7580	0.000	1	118.7580	0.000	1	118.7580	0.000	1	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]BC)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H){1|B<4>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]BC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.9075	0.235	4	119.9075	0.055	4	119.8272	0.582	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.7470	1.134	4	119.7470	1.286	4	119.8272	0.582	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:B[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]B[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a,6a]B[4])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[4,6a]H)(H){1|B<4>,2|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	118.6910	0.140	2	118.6910	0.020	2	118.6910	0.020	2	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(P[4]C[4,6a]NO)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[4,6a]H)(H){1|P<4>,2|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(P[4]C[4,6a]NO)(C[6a]C[6a]H){1|H<1>,3|C<3>}	117.2300	0.011	2	117.2300	0.000	2	117.2300	0.000	2	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]Si[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a,6a]Si[4])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[4,6a]H)(H){1|Si<4>,2|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	118.5620	0.526	2	118.5620	0.277	2	118.5620	0.277	2	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:B[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]N[4])(B[4]C[6a]2N[4])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]C[6a]2N[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	117.9590	0.262	2	117.9590	0.068	2	117.7213	0.204	3	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:B[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	117.2460	0.000	1	117.2460	0.000	1	117.7213	0.204	3	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,4]C[6a])(C[4,4]C[4,4]C[4]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,4]C[6a])(C[4,4]C[4,4]C[4]H)(C[6a]C[6a]H){1|Zr<14>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.9793	4.583	6	113.9793	21.006	6	113.9793	21.006	6	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,5]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(H)	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.4110	0.000	1	115.8340	0.113	6	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.7387	0.228	4	115.8340	0.113	6	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.6380	0.000	1	115.8340	0.113	6	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.2295	0.073	2	115.3323	0.034	3	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.5380	0.000	1	115.3323	0.034	3	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	115.4990	0.000	1	115.8050	0.159	4	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	115.5040	0.000	1	115.8050	0.159	4	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.3430	0.000	1	115.8050	0.159	4	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	115.8740	0.000	1	115.8050	0.159	4	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]O)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	115.0300	0.088	2	115.0300	0.008	2	115.6187	0.177	15	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[3]C[4]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[3]C[4]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.5580	0.000	1	115.5580	0.000	1	115.5450	0.711	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]C[6]O)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]C[6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	115.1975	0.040	2	115.1975	0.002	2	115.5450	0.711	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.3745	0.093	2	115.2815	0.480	4	115.5450	0.711	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	114.3530	0.000	1	115.2815	0.480	4	115.5450	0.711	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.0240	0.000	1	115.2815	0.480	4	115.5450	0.711	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]Si2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){3|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]Si2)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	117.2810	0.000	1	117.2810	0.000	1	115.5450	0.711	8	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Ge[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Ge[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Si[4])(Ge[4]C[6a]2Si[4])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]Ge[4])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]Si[4])(Ge[4]C[6a]2Si[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:P[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]P[4])(P[4]P[4]PdC)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[4,6a](C[4,6a]C[6a]P[4])(P[4]P[4]PdC)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	117.9525	0.332	2	117.9525	0.110	2	117.9525	0.110	2	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	116.7743	5.970	52	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	4:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	115.7580	0.000	1	115.7580	0.000	1	115.6682	0.025	6	115.6650	0.021	7	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	4:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[4,6]N[5,6]C[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,5,6]C[4,6]N[5,6]C[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	115.7120	0.115	4	115.7120	0.013	4	115.6682	0.025	6	115.6650	0.021	7	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	4:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[5,6a]C[4,6]N[5,6])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,5,6]C[5,6a]C[4,6]N[5,6])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	115.4030	0.000	1	115.4030	0.000	1	115.6682	0.025	6	115.6650	0.021	7	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:1:	4:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H)	C[4,6a](C[4,5]C[5,6a]C[4]O[5])(C[4,6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,5]C[5,6a]C[4]O[5])(C[4,6a]C[6a]C[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	115.6650	0.021	7	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:2:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH)	C[4,6a](C[4,6a]C[6a,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a,6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<4>,1|O<2>,3|C<3>}	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	116.0198	0.135	12	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:2:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	115.4810	0.000	1	115.4810	0.000	1	116.0069	0.147	11	116.0198	0.135	12	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:2:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|C<3>,1|O<2>,3|H<1>}	115.3860	0.000	1	115.3860	0.000	1	116.0069	0.147	11	116.0198	0.135	12	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:2:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){1|C<3>,1|O<2>,3|H<1>}	115.9840	0.072	4	115.9840	0.005	4	116.0069	0.147	11	116.0198	0.135	12	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:2:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.3492	0.316	4	116.2546	0.120	5	116.0069	0.147	11	116.0198	0.135	12	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:2:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|H<1>,1|O<2>,3|C<3>}	115.8760	0.000	1	116.2546	0.120	5	116.0069	0.147	11	116.0198	0.135	12	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){2|C<3>,3|H<1>}	117.3380	0.105	2	117.3380	0.011	2	117.3380	0.011	2	116.5110	2.057	3	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|N<3>,3|H<1>}	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	116.5110	2.057	3	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:3:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4,6a]-3:C[4,5]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CC3)	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C){2|C<3>,2|C<4>}	117.7850	0.190	2	117.9568	0.222	5	117.9568	0.222	5	118.2418	0.264	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CC3)	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	118.4250	0.062	2	117.9568	0.222	5	117.9568	0.222	5	118.2418	0.264	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CC3)	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C){1|Ru<9>,2|C<3>,2|C<4>}	117.3640	0.000	1	117.9568	0.222	5	117.9568	0.222	5	118.2418	0.264	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]Si)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]Si)(SiC3)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]Si)(H){1|Si<4>,3|C<3>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]Si)(SiC3){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	118.5980	0.320	4	118.5980	0.102	4	118.5980	0.102	4	118.2418	0.264	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.4610	0.000	1	117.2788	0.809	5	117.2788	0.809	5	117.2788	0.809	5	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:4:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|O<2>,2|C<3>,2|C<4>}	116.9832	0.704	4	117.2788	0.809	5	117.2788	0.809	5	117.2788	0.809	5	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH)	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4]C[4,5]CC)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4]C[4,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.7750	0.000	1	116.7750	0.000	1	118.5337	1.436	4	118.5337	1.436	4	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH)	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]CC)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	119.4450	0.000	1	119.4450	0.000	1	118.5337	1.436	4	118.5337	1.436	4	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	3:4:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CSi2H)	C[4,6a](C[4,6a]Si[4,6]C[6a])(C[4]Si[4,6]Si2)(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|Si<5>,2|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	C[4,6a](C[4,6a]Si[4,6]C[6a])(C[4]Si[4,6]Si2)(C[6a]C[6a]H){1|Li<8>,1|C<3>,4|C<4>}	118.9575	0.159	2	118.9575	0.025	2	118.5337	1.436	4	118.5337	1.436	4	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	4:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,5,6,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6,6]C[4,6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(CH3)	C[4,6a](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[6])(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,5,6,6]C[4,6a])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[6])(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	117.1850	0.000	1	117.1850	0.000	1	117.1850	0.000	1	117.0775	0.023	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:1:	3:3:4:	4:3:3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(CH3)	C[4,6a](C[4,5,6]C[4,5,6,6]C[5,5,6]H)(C[4,6a]C[4,5,6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,5,6]C[4,5,6,6]C[5,5,6]H)(C[4,6a]C[4,5,6,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	117.0775	0.023	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:2:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]N)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	115.1240	0.089	2	115.1240	0.008	2	115.1240	0.008	2	115.1240	0.008	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:2:	3:3:3:	3:4:3:	C[4,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[4,5]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC)	C[4,6a](C[4,6a]C[5a,6a]C[4,5])(C[4,5]C[4,5]O[5]H)(C[6a]C[6a]O)	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC){1|C<4>,1|N<3>,3|C<3>}	C[4,6a](C[4,6a]C[5a,6a]C[4,5])(C[4,5]C[4,5]O[5]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:2:	3:3:4:	3:3:4:	C[4,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CC)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CC){1|C<3>,1|C<4>,3|H<1>}	118.8450	0.000	1	118.8450	0.000	1	119.3080	0.429	2	119.3080	0.429	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:2:	3:3:4:	3:3:4:	C[4,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CH)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CH){1|C<3>,1|C<4>,3|H<1>}	119.7710	0.000	1	119.7710	0.000	1	119.3080	0.429	2	119.3080	0.429	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:2:	3:4:3:	3:3:3:	C[4,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[4]-4:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C[4])(CC)	C[6a](C[6a]C[4,6a]C)(C[4]C[4]2Co)(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C[4])(CC){1|Co<9>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[4]C[4]2Co)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	116.0170	0.000	1	116.0170	0.000	1	116.0170	0.000	1	116.0170	0.000	1	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:2:	C[4,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-1:	N[4,6a]-3:C[6a]-3:S[4]-2:	C[6a](C[4,6a]N[4,6a]S[4])(C[6a]C[6a,6a]O)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]C)(O)	C[4,6a](N[4,6a]C[6a,6a]C[4])(C[6a]C[6a]C)(S[4]C[4])	C[6a](C[4,6a]N[4,6a]S[4])(C[6a]C[6a,6a]O)(COO){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[4,6a](N[4,6a]C[6a,6a]C[4])(C[6a]C[6a]C)(S[4]C[4]){1|H<1>,1|O<1>,3|C<3>}	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CC[5a]2)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){2|H<1>,4|C<3>}	114.1685	0.623	2	114.1685	0.388	2	114.9304	0.636	5	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){2|H<1>,4|C<3>}	115.4383	0.332	3	115.4383	0.110	3	114.9304	0.636	5	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	113.9850	0.219	3	114.0030	0.084	6	114.0030	0.084	6	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	113.6550	0.000	1	114.0030	0.084	6	114.0030	0.084	6	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[4,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	114.2040	0.351	2	114.0030	0.084	6	114.0030	0.084	6	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	115.1190	0.000	1	114.0705	2.199	2	114.0705	2.199	2	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|Br<1>,2|H<1>,3|C<3>}	113.0220	0.000	1	114.0705	2.199	2	114.0705	2.199	2	114.3701	0.643	13	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]N)(C[4]C[4]CO)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]N)(C[4]C[4]CO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:3:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2O)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2O)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2C){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<4>,2|H<1>,3|C<3>}	111.0243	0.197	3	111.0243	0.039	3	111.2245	0.547	6	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<4>,2|H<1>,3|C<3>}	111.3290	0.000	1	111.3290	0.000	1	111.2245	0.547	6	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]2N){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|B<4>,2|H<1>,3|C<3>}	112.5690	0.000	1	112.5690	0.000	1	111.2245	0.547	6	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(BC[6a]OO){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<4>,2|H<1>,3|C<3>}	110.3760	0.000	1	110.3760	0.000	1	111.2245	0.547	6	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:P[4]-3:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]C)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3){1|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]C){2|C<3>,2|H<1>}	115.1830	0.049	2	115.1830	0.002	2	115.1830	0.002	2	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2)	C[6a](C[6a]C[4,6a]Ga)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Ga)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]Ga)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Ga){1|Ga<4>,2|H<1>,3|C<3>}	113.8660	0.380	4	113.8660	0.144	4	113.8660	0.144	4	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2C){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	116.0957	0.433	3	116.0957	0.187	3	116.0384	0.391	5	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2H)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	116.7150	0.000	1	116.7150	0.000	1	116.0384	0.391	5	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2O)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	115.1900	0.000	1	115.1900	0.000	1	116.0384	0.391	5	113.7276	4.584	17	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:P[4]-4:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]HW)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|W<6>,2|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]HW){2|C<3>,2|H<1>}	114.8710	0.376	2	114.8710	0.142	2	114.8710	0.142	2	114.8650	0.071	3	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:3:4:	C[4,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C)	C[6a](C[6a]C[4,6a]C[5])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C[5])(C[4]C[4]CO)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6a](C[6a]C[4,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C[5])(C[4]C[4]CO){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.8650	0.071	3	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	113.3243	1.149	4	113.3243	1.320	4	113.3243	1.320	4	114.9366	3.372	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:P[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(P[4]C[4]RuC)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3){1|Ru<9>,1|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[4,6a](C[4,6a]C[6a]C[4])(P[4]C[4]RuC)(C[6a]C[6a]C){2|C<3>,2|H<1>}	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	114.9366	3.372	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	117.7170	0.000	1	117.7170	0.000	1	116.8995	1.337	2	114.9366	3.372	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|H<1>}	116.0820	0.000	1	116.0820	0.000	1	116.8995	1.337	2	114.9366	3.372	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	3:4:3:	C[4,6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(SiSiCC)	C[6a](C[6a]C[4,6a]Si)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(SiSiCC){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[4,6a]Si)(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>}	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	116.2670	0.127	2	116.2670	0.016	2	116.2670	0.016	2	114.9366	3.372	9	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	4:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]C){1|C<3>,3|H<1>,4|C<4>}	113.8508	0.100	4	113.8508	0.010	4	113.8508	0.010	4	113.8508	0.010	4	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:1:	5:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	Si[4,6]-5:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H)	C[4,6a](Si[4,6]C[4]C[6]2Li)(C[4,6a]C[6a]C[4])(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H){1|Li<8>,1|C<3>,4|C<4>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(H){1|Si<5>,1|C<3>,1|H<1>}	C[4,6a](Si[4,6]C[4]C[6]2Li)(C[4,6a]C[6a]C[4])(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|C<4>,4|H<1>}	117.1815	0.227	2	117.1815	0.052	2	117.1815	0.052	2	117.1815	0.052	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:2:	3:3:2:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[4,6a]-3:C[6a]-3:Se[4]-2:	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN)	C[4,6a](C[4,6a]C[6a]Se[4])(C[6a]C[6a]C)(Se[4]Se[4])	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH){1|Se<2>,1|C<2>,1|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN){1|Se<2>,1|C<3>,1|C<4>}	C[4,6a](C[4,6a]C[6a]Se[4])(C[6a]C[6a]C)(Se[4]Se[4]){1|C<2>,1|C<3>,1|C<4>}	114.0365	0.339	2	114.0365	0.115	2	114.0365	0.115	2	114.0365	0.115	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){3|C<3>,3|C<4>}	114.5482	0.410	16	114.5482	0.168	16	114.6251	0.159	20	114.6251	0.159	20	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:4:	3:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN[5a]HH)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){3|C<3>,3|C<4>}	114.9325	0.096	4	114.9325	0.009	4	114.6251	0.159	20	114.6251	0.159	20	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:3:4:	3:3:4:	4:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[4,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3)	C[4,6a](C[4,6]C[4,6]C[6]Cr)(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]C)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	C[4,6a](C[4,6]C[4,6]C[6]Cr)(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]C){1|C<3>,5|C<4>}	114.5965	0.033	2	114.5965	0.001	2	114.5965	0.001	2	114.5965	0.001	2	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:4:3:	3:3:1:	3:3:3:	C[4,6a]-3:B-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B)	C[6a](C[4,6a]C[4,6a]2)(BC[6a]2C[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]B){1|P<3>,2|H<1>,3|C<3>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	114.3370	5.229	4	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	3:4:3:	3:3:1:	3:3:3:	C[4,6a]-3:P-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(PC[6a]2B[3])(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	C[6a](C[4,6a]C[4,6a]2)(PC[6a]2B[3])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<5>,2|H<1>,3|C<3>}	115.4537	0.602	3	115.4537	0.362	3	115.4537	0.362	3	114.3370	5.229	4	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	5:3:3:	3:3:1:	3:3:3:	B[3,3]-5:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a])	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){1|P<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H){1|H<2>,2|B<5>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a]){1|H<2>,1|P<4>,2|B<5>,3|C<3>,3|H<1>}	112.3920	0.000	1	112.3920	0.000	1	112.5313	0.564	3	112.5313	0.564	3	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4,6a]	5:3:3:	3:3:1:	3:3:3:	B[3,3]-5:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a])	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H){1|H<1>,1|H<2>,2|B<5>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a]){1|H<2>,1|P<4>,2|B<5>,2|H<1>,4|C<3>}	112.6010	1.048	2	112.6010	1.098	2	112.5313	0.564	3	112.5313	0.564	3	115.8311	3.476	288	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:1:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4,6a]H)(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[4,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4,6a]H)(H){4|C<3>}	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4a,6a]H)(H){4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[4,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	116.6170	1.275	7	116.6170	1.275	7	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:1:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4a,6a]H)(H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4a,6a]H)(H){4|C<3>}	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4a,6a]H)(H){4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.8190	0.600	2	117.8190	0.360	2	117.8190	0.360	2	116.6170	1.275	7	116.6170	1.275	7	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:1:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[6a]C[4a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a,6a]H)(H){4|C<3>}	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[6a]C[4a,6a]H)(H){5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	116.4400	0.000	1	116.4400	0.000	1	115.9575	0.466	2	116.6170	1.275	7	116.6170	1.275	7	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:1:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a,6a]H)(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4a,6a]H)(H){1|H<1>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	115.4750	0.000	1	115.4750	0.000	1	115.9575	0.466	2	116.6170	1.275	7	116.6170	1.275	7	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:1:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4a,6a]H)(C[6a]C[6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.5470	0.000	1	115.5470	0.000	1	115.5885	0.003	2	116.6170	1.275	7	116.6170	1.275	7	115.8593	3.536	349
643	643	769	6:SP2_SP2_SP2	C[6a]	C[6a]	C[4a,6a]	3:3:1:	3:3:1:	3:3:3:	C[4a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[4a,6a]H)(C[6a]C[6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a]H)	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.6300	0.000	1	115.6300	0.000	1	115.5885	0.003	2	116.6170	1.275	7	116.6170	1.275	7	115.8593	3.536	349
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6,6a]	B	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	124.4144	1.674	5	124.4144	2.803	5	124.4144	2.803	5	124.4144	2.803	5	127.6120	17.070	9	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C){2|C<3>,4|H<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	133.0500	0.000	1	133.0500	0.000	1	133.0500	0.000	1	131.0220	8.226	2	127.6120	17.070	9	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2){1|Rh<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	128.9940	0.000	1	128.9940	0.000	1	128.9940	0.000	1	131.0220	8.226	2	127.6120	17.070	9	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]B)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]C){1|Pt<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	131.5950	0.000	1	131.5950	0.000	1	131.5950	0.000	1	131.5950	0.000	1	127.6120	17.070	9	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6,6a]	B	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BCC)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]B)	B(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BCC){1|Pt<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6,6a]C[6a])(CH3)2	132.7970	0.000	1	132.7970	0.000	1	132.7970	0.000	1	132.7970	0.000	1	127.6120	17.070	9	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a])	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a]){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a])	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a]){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BOO)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	B(C[6a]C[6a,6a]C[6a])(OH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BOO){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(OH)2	129.0150	0.000	1	129.0150	0.000	1	129.0150	0.000	1	124.9878	5.581	5	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(OH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(OH)2	123.9810	0.827	4	123.9810	0.683	4	123.9810	0.683	4	124.9878	5.581	5	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-3:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(BClB)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]2)(BC[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(BClB){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]2)(BC[6a]Cl)(Cl)	120.1025	0.542	2	120.1025	0.294	2	120.1025	0.294	2	122.5053	17.468	3	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BClN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P)	B(C[6a]C[6a,6a]C[6a])(NCC)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BClN){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(NCC)(Cl)	127.3110	0.000	1	127.3110	0.000	1	127.3110	0.000	1	122.5053	17.468	3	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]O)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	129.6140	0.000	1	129.6140	0.000	1	129.6140	0.000	1	129.6140	0.000	1	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(BC[5a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(BC[5a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(BC[6a]B)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]2)2(BFF)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(BC[6a]B){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]2)2(BFF)	120.5680	0.998	8	120.5680	0.997	8	120.5680	0.997	8	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,4|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	125.3510	0.421	2	125.3510	0.178	2	125.3510	0.178	2	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	128.8760	0.000	1	128.8760	0.000	1	129.9140	2.511	3	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B){2|H<1>,4|C<3>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	130.4330	1.846	2	130.4330	3.406	2	129.9140	2.511	3	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	125.8280	0.000	1	125.8280	0.000	1	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]B){3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	126.3010	2.254	2	126.3010	5.082	2	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]B){4|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	124.4625	0.449	2	124.4625	0.202	2	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]C)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]C){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	128.7230	0.000	1	128.7230	0.000	1	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	126.0100	0.000	1	126.0100	0.000	1	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]I)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]I){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	130.5860	0.000	2	130.5860	0.000	2	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	128.5390	0.000	1	128.5390	0.000	1	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	126.1450	0.000	1	127.7595	5.213	2	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|S<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]S){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	129.3740	0.000	1	127.7595	5.213	2	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)2	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)2{2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	127.3125	1.282	4	127.3125	1.643	4	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]B){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	127.6342	0.877	6	127.6342	0.769	6	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Hg)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Hg<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Hg)(C[6a]C[6a]B){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	128.6170	0.000	1	128.6170	0.000	1	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Te<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]B){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	126.8940	0.000	1	126.8940	0.000	1	127.4118	3.002	24	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]N){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P){2|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	126.1980	0.000	1	126.1980	0.000	1	126.1980	0.000	1	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]N[6]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a]B[6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a]B[6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]B){4|C<3>,4|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	125.8260	11.827	41	125.5640	11.475	52	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	122.6207	0.283	3	122.0695	1.269	4	122.4077	3.540	8	122.4077	3.540	8	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	120.4160	0.000	1	122.0695	1.269	4	122.4077	3.540	8	122.4077	3.540	8	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]N[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]N[6a]H)2(BOO){1|C<3>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	122.8165	3.917	2	122.7460	6.686	4	122.4077	3.540	8	122.4077	3.540	8	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]N[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]N[6a]H)2(BOO){1|C<3>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.6755	2.167	2	122.7460	6.686	4	122.4077	3.540	8	122.4077	3.540	8	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	124.6290	0.064	2	124.6290	0.004	2	124.6290	0.004	2	124.6290	0.004	2	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Br-1:Br-1:	C[6a](C[6a]C[6a]H)2(BBr2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(Br)2	121.0730	1.259	2	121.2588	0.527	6	121.2588	0.527	6	121.3842	2.437	85	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Br-1:Br-1:	C[6a](C[6a]C[6a]H)2(BBr2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(Br)2	121.1600	0.451	2	121.2588	0.527	6	121.2588	0.527	6	121.3842	2.437	85	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Br-1:Br-1:	C[6a](C[6a]C[6a]H)2(BBr2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)2(BBr2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(Br)2	121.5435	0.771	2	121.2588	0.527	6	121.2588	0.527	6	121.3842	2.437	85	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(O)2	121.3938	1.609	79	121.3938	2.590	79	121.3938	2.590	79	121.3842	2.437	85	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)(O)	122.4102	1.997	4	122.0046	2.440	12	122.0046	2.440	12	122.0046	2.440	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	B(C[6a]C[6a]2)(OH)(O)	121.8017	1.409	8	122.0046	2.440	12	122.0046	2.440	12	122.0046	2.440	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[5,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[5,6a]C[6a])(OH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(BOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[5,6a]C[6a])(OH)2	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(OH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(OH)2	113.7460	0.000	1	113.7460	0.000	1	117.0198	4.337	5	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(OH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(OH)2	117.8383	1.147	4	117.8383	1.316	4	117.0198	4.337	5	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.7290	0.000	1	125.2745	4.777	2	123.6315	2.890	6	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	126.8200	0.000	1	125.2745	4.777	2	123.6315	2.890	6	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Br)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Br)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	122.8100	0.724	4	122.8100	0.524	4	123.6315	2.890	6	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	121.9510	0.000	1	121.9510	0.000	1	122.6634	0.726	5	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Cl)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Cl)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	122.8415	0.870	4	122.8415	0.757	4	122.6634	0.726	5	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	120.9150	0.000	1	120.9150	0.000	1	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	124.8073	0.200	4	124.0165	0.824	8	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	123.7900	0.000	1	124.0165	0.824	8	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.8495	0.080	2	124.0165	0.824	8	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	123.4140	0.000	1	124.0165	0.824	8	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	124.0070	0.000	1	124.4242	0.385	6	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	124.1815	0.063	2	124.4242	0.385	6	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	125.1945	0.187	2	124.4242	0.385	6	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.7860	0.000	1	124.4242	0.385	6	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]F)2(BOO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OC)2	121.6850	0.649	2	121.6850	0.421	2	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OC[6a])2	C[6a](C[6a]C[6a]F)2(BOO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OC[6a])2	121.3217	1.687	12	121.3217	2.846	12	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)2(BOO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OH)2	122.3250	0.576	2	122.3250	0.331	2	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	123.4952	0.284	6	123.4966	0.146	8	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OH)2	123.5010	0.788	2	123.4966	0.146	8	122.8576	2.761	39	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OC)(OH)	114.3740	0.000	1	114.3740	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OAl)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OAl)(OH)	116.2845	1.425	2	116.2845	2.030	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OB)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OB)(OH)	116.3530	0.192	2	116.3530	0.037	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OGe[6])(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OGe[6])(OH)	117.1680	0.000	1	117.1680	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	116.6475	0.148	2	116.6475	0.022	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OSi)2	116.0050	0.583	2	116.0050	0.339	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|F<1>}	B(C[6a]C[6a]2)(OH)2	114.8962	1.197	4	114.8962	1.433	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	115.1105	0.155	2	115.1105	0.024	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	117.3800	0.000	1	117.3800	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(BOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	119.9240	0.000	1	119.9240	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	117.1830	0.000	1	117.1830	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	B(C[6a]C[6a]2)(OC)(OH)	119.0070	0.000	1	118.1785	1.373	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OC)(OH)	117.3500	0.000	1	118.1785	1.373	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OC)2	114.5740	0.000	1	114.5740	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	114.7960	0.000	1	117.1675	2.720	23	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	B(C[6a]C[6a]2)(OH)2	118.0300	0.000	1	117.1675	2.720	23	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	116.9878	0.912	14	117.1675	2.720	23	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(OH)2	117.9810	0.926	2	117.1675	2.720	23	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	117.6470	3.118	5	117.1675	2.720	23	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	118.9740	0.000	1	118.9740	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]B)(H){1|C<3>,1|C<4>}	B(C[6a]C[6a]2)(OH)2	117.5130	0.000	1	117.5130	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|F<1>}	B(C[6a]C[6a]2)(OH)2	120.3720	0.000	1	119.8133	0.239	3	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	119.5340	0.096	2	119.8133	0.239	3	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|F<1>}	B(C[6a]C[6a]2)(OH)2	119.5395	0.181	4	120.0066	0.288	11	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	120.6805	0.156	2	120.0066	0.288	11	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OH)2	119.8980	0.000	1	120.0066	0.288	11	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	120.1640	0.000	1	120.0066	0.288	11	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	120.8690	0.000	1	120.0066	0.288	11	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(OH)2	119.8115	0.346	2	120.0066	0.288	11	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	B(C[6a]C[6a]2)(OH)2	116.9950	0.000	1	116.7480	0.122	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	B(C[6a]C[6a]2)(OH)2	116.5010	0.000	1	116.7480	0.122	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	B(C[6a]C[6a]2)(OH)2	117.6450	0.000	1	117.1480	4.311	5	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	117.2170	0.000	1	117.1480	4.311	5	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	B(C[6a]C[6a]2)(OH)2	116.9593	2.906	3	117.1480	4.311	5	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	B(C[6a]C[6a]2)(OH)2	118.4480	0.000	1	118.4480	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	B(C[6a]C[6a]2)(OH)2	118.3268	1.215	4	118.3268	1.477	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	119.9765	0.043	2	119.3319	0.750	9	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	117.9970	1.022	2	119.3319	0.750	9	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	119.7120	0.000	1	119.3319	0.750	9	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	B(C[6a]C[6a]2)(OH)2	119.7810	0.030	2	119.3319	0.750	9	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	119.4210	0.000	1	119.3319	0.750	9	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	119.3450	0.000	1	119.3319	0.750	9	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	118.3310	0.260	2	118.3310	0.068	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>}	B(C[6a]C[6a]2)(OH)2	121.5740	0.189	3	122.0517	0.937	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	B(C[6a]C[6a]2)(OH)2	123.4850	0.000	1	122.0517	0.937	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	120.1430	0.008	2	120.1430	0.000	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(OAl)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OAl)(OB)	120.5705	1.023	2	120.5705	1.047	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(OBi)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OBi)(OB)	121.0572	1.101	4	121.0572	1.211	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.7050	0.000	1	120.4756	2.520	7	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	119.8227	1.558	4	120.4756	2.520	7	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	120.6665	1.042	2	120.4756	2.520	7	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(OSn)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OSn)(OB)	121.0362	1.601	8	121.0362	2.564	8	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	120.0800	0.000	1	120.8906	1.703	7	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.0257	1.375	6	120.8906	1.703	7	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OSi)2	120.8700	0.223	4	120.8700	0.050	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OAl)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OAl)(OB)	121.6105	0.965	2	121.6105	0.932	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OB[6])(OC)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OB[6])(OC)	121.5213	0.421	4	121.5213	0.177	4	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OBi)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OBi)(OB)	121.9360	1.420	4	121.6743	0.992	8	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OBi)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OBi)(OB)	121.4235	0.564	2	121.6743	0.992	8	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OBi)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OBi)(OB)	121.4015	0.168	2	121.6743	0.992	8	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OC)(OH)	121.1770	2.444	2	121.1770	5.972	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	119.7870	0.000	1	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.4342	1.857	4	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.1330	0.000	1	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	121.2760	1.301	2	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	121.6317	0.300	3	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.5585	0.556	22	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.5695	0.631	2	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.6359	1.294	9	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.2130	0.635	2	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.5988	1.486	14	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.3910	1.089	2	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	B(C[6a]C[6a]2)(OH)2	121.6754	0.963	16	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	121.7877	0.934	32	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	121.5779	0.916	14	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.7751	0.877	13	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OH)2	121.1480	1.031	22	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.3160	0.332	2	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.4320	0.724	2	121.5998	0.997	163	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OPt)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OPt)(OB)	121.6225	1.632	6	121.6042	2.141	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OPt)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(OPt)(OB)	121.5905	1.440	8	121.6042	2.141	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OPt)(OH)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OPt)(OH)	123.3660	2.362	2	123.3660	5.578	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OSi)2	121.0020	0.025	2	121.1654	0.176	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OSi)2	121.1045	0.289	2	121.1654	0.176	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OSi)2	121.1937	0.182	4	121.1654	0.176	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)(OSi)2	120.8950	0.148	2	121.1654	0.176	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OSi)2	121.3843	0.749	4	121.1654	0.176	14	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSn)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OSn)(OB)	121.5081	1.621	8	121.3629	2.303	16	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OSn)(OB)	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OSn)(OB)	121.2177	1.503	8	121.3629	2.303	16	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	120.7760	1.527	2	120.9284	0.662	5	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(BOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	121.0300	0.345	3	120.9284	0.662	5	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)(OH)2	118.2160	0.000	1	118.2160	0.000	1	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	114.0945	0.687	2	114.0945	0.471	2	120.5330	4.545	355	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)(OH)2	126.5850	0.000	1	125.0820	7.268	4	125.0646	4.514	7	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)(OH)2	124.5810	3.065	3	125.0820	7.268	4	125.0646	4.514	7	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(I)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	126.8530	0.000	1	126.8530	0.000	1	125.0646	4.514	7	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	124.5540	0.000	1	124.1355	0.350	2	125.0646	4.514	7	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.7170	0.000	1	124.1355	0.350	2	125.0646	4.514	7	120.8519	5.348	418	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BClN)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(NCC)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BClN){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(NCC)(Cl)	113.9690	0.000	1	113.9690	0.000	1	113.9690	0.000	1	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:Br-1:	C[6a](C[6a]C[6a]F)2(BBrC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(CCC)(Br)	C[6a](C[6a]C[6a]F)2(BBrC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CCC)(Br)	122.7720	2.608	2	122.7720	6.801	2	122.7720	6.801	2	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:Cl-1:	C[6a](C[6a]C[6a]F)2(BClC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]F)2(BClC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CCC)(Cl)	122.6450	2.059	2	122.6450	4.240	2	122.6450	4.240	2	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:Br-1:	C[6a](C[6a]C[6a]F)2(BC[6]Br)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)	C[6a](C[6a]C[6a]F)2(BC[6]Br){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(C[6]N[6]2)(Br)	122.2835	2.324	2	122.2835	5.402	2	122.2835	5.402	2	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BC[6a]Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	B(C[6a]C[6a]2)2(Cl)	120.4610	0.000	1	120.4610	0.000	1	122.2137	2.566	7	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]F)2(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)2(Cl)	122.5265	1.453	4	122.5058	2.363	6	122.2137	2.566	7	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]F)2(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]F)2(BC[6a]Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(Cl)	122.4645	2.340	2	122.5058	2.363	6	122.2137	2.566	7	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]H)2(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]H)2(BC[6a]Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(Cl)	120.7975	0.243	4	120.7975	0.059	4	119.8324	4.701	5	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)2(Cl)	115.9720	0.000	1	115.9720	0.000	1	119.8324	4.701	5	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]H)2(BC[6a]F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]H)2(BC[6a]F){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(F)	120.7800	1.478	4	120.7800	2.183	4	120.7800	2.183	4	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a]C[6a]H)2(BClN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(BClN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[6a]H)(Cl)	121.5350	1.467	2	121.5350	2.151	2	121.5350	2.151	2	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(NCC)(H)	118.9330	0.000	1	118.9330	0.000	1	120.1655	3.038	2	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	B(C[6a]C[6a]2)(NCC)(H)	121.3980	0.000	1	121.3980	0.000	1	120.1655	3.038	2	121.1314	5.601	27	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]O)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	113.6740	0.000	1	113.6740	0.000	1	116.9485	21.445	2	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]O)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	120.2230	0.000	1	120.2230	0.000	1	116.9485	21.445	2	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(BC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(BC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(H){1|C<2>,1|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(OH)	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NP)	122.4965	1.360	16	122.4965	1.850	16	122.4965	1.850	16	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]F)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(OB)	C[6a](C[6a]C[6a]F)2(BC[6a]O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OB)	122.2929	0.743	11	122.2929	0.552	11	122.3694	1.055	23	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]F)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]F)2(BC[6a]O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(OC)	122.4395	1.264	12	122.4395	1.597	12	122.3694	1.055	23	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CCC)(OC)	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CCC)(OC)	121.3815	1.090	8	121.4539	1.170	10	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CCC)(OC)	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)(CCC)(OC)	121.7435	1.415	2	121.4539	1.170	10	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OB)	121.3435	0.483	4	121.3435	0.234	4	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC)	121.2651	1.274	10	121.2651	1.623	10	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OC[6])	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC[6])	121.3875	1.300	2	121.3875	1.691	2	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	121.1480	1.041	2	121.1480	1.083	2	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(ON)	C[6a](C[6a]C[6a]H)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(ON)	121.2717	0.541	4	121.2717	0.293	4	121.3351	0.961	32	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[5]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[5]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	118.7130	0.000	1	118.7130	0.000	1	118.7130	0.000	1	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OC)	117.6640	0.000	1	117.6640	0.000	1	120.0772	5.273	13	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)2(OH)	118.2015	0.298	2	118.2015	0.089	2	120.0772	5.273	13	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)2(OC)	117.3855	0.940	2	117.3855	0.883	2	120.0772	5.273	13	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(OB)	C[6a](C[6a]C[6a]H)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(OB)	121.5208	1.616	8	121.5208	2.613	8	120.0772	5.273	13	121.4651	3.290	88	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5,6]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]2)2	C[6a](BC[5,6]C[6a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]2)2	122.3533	0.475	4	122.3533	0.226	4	122.3498	1.522	8	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5,6]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2	C[6a](BC[5,6]C[6a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2	122.3462	1.824	4	122.3462	3.326	4	122.3498	1.522	8	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](BC[5a]C[6a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	122.6792	0.874	8	122.6792	0.763	8	122.6280	1.280	12	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](BC[5a]C[6a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	122.5255	1.700	4	122.5255	2.890	4	122.6280	1.280	12	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[6a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	C[6a](BC[6a]N[5a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	121.8160	1.824	4	121.8160	3.326	4	121.9900	2.227	8	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[6a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](BC[6a]N[5a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	122.1640	1.338	4	122.1640	1.791	4	121.9900	2.227	8	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[5a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	110.3020	0.000	1	110.3020	0.000	1	117.5390	17.732	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	119.5760	2.479	5	119.5760	6.145	5	117.5390	17.732	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]2){1|Rh<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	114.5910	0.000	1	114.5910	0.000	1	117.5390	17.732	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a,6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a,6a]H)(H){3|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.0695	0.491	2	117.0695	0.242	2	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	113.7810	0.000	1	113.7810	0.000	1	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[5,6a]H)(H){3|C<3>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	113.1695	2.036	2	113.1695	4.144	2	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	113.3524	0.998	5	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	111.9050	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	113.3880	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	114.6640	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	112.8560	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Hg<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	112.5240	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Te<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	114.6970	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	115.5247	1.246	3	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.6720	0.000	1	114.0695	2.767	15	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	113.3752	1.047	6	113.6977	3.446	10	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	111.7350	0.000	2	113.6977	3.446	10	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	116.6280	0.165	2	113.6977	3.446	10	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.2140	0.000	1	117.2140	0.000	1	114.1772	3.492	31	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]N)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(BC[6a]N){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	115.8810	0.000	1	115.8810	0.000	1	115.8810	0.000	1	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)(H){1|C<3>,2|N<3>,3|H<1>}	B(C[6a]C[6a]2)3	121.5605	1.060	2	121.5605	1.124	2	121.5605	1.124	2	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]B)(H){1|H<1>,1|N<3>,3|C<3>}	B(C[6a]C[6a]2)3	122.4795	3.055	2	122.4795	9.336	2	121.7970	3.869	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(BC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)2(BC[6a]2){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3	121.1145	0.640	2	121.1145	0.410	2	121.7970	3.869	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	123.3900	0.425	4	123.3900	0.181	4	123.3900	0.181	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(BC[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(BC[6a]2){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl){2|Cl<1>,1|C<3>}	B(C[6a]C[6a]2)3	121.5743	0.690	7	121.5743	0.477	7	121.5743	0.477	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	122.3490	0.249	4	122.3490	0.062	4	122.5823	1.730	20	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	122.7293	2.314	4	122.7293	5.357	4	122.5823	1.730	20	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	122.7388	1.281	8	122.7388	1.641	8	122.5823	1.730	20	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	122.3555	1.215	4	122.3555	1.476	4	122.5823	1.730	20	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]F)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(BCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CC[6a]C)2	121.9099	1.783	10	121.9099	3.178	10	121.9099	3.178	10	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCC)	122.6980	1.172	8	122.6980	1.374	8	122.5616	1.271	75	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCH)	122.7348	0.395	4	122.7348	0.156	4	122.5616	1.271	75	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CC[6]C)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6]C)	122.6930	0.552	4	122.6930	0.305	4	122.5616	1.271	75	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	122.4670	1.142	51	122.4670	1.304	51	122.5616	1.271	75	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CSiC)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CSiC)	122.7585	1.618	4	122.7585	2.616	4	122.5616	1.271	75	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CZrC)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CZrC)	122.9933	1.660	4	122.9933	2.757	4	122.5616	1.271	75	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	122.5010	0.192	4	122.5075	2.251	24	122.5075	2.251	24	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	122.5089	1.649	20	122.5075	2.251	24	122.5075	2.251	24	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	B(C[6a]C[6a]2)3	119.6565	0.670	6	119.6565	0.448	6	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	122.2912	2.299	4	122.2912	5.284	4	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	122.6985	1.746	16	122.6985	3.047	16	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.0019	0.956	8	123.0019	0.914	8	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)2(BC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)3	122.7531	1.451	13	122.7760	2.864	72	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)2(BC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3	122.7811	1.752	59	122.7760	2.864	72	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	123.5940	0.000	2	123.5940	0.000	2	122.6051	3.099	108	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(NBC)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NBC)	122.8323	0.437	4	122.8323	0.191	4	122.4885	1.179	32	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NCC)	122.4775	1.554	4	122.4775	2.416	4	122.4885	1.179	32	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(NCP)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NCP)	122.0067	1.053	4	122.0067	1.109	4	122.4885	1.179	32	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(NHS)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NHS)	122.2142	1.026	12	122.2142	1.053	12	122.4885	1.179	32	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(NSi2)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NSi2)	122.2505	1.268	4	122.2505	1.609	4	122.4885	1.179	32	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F)	B(C[6a]C[6a]2)2(NHN)	C[6a](C[6a]C[6a]F)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(NHN)	123.6987	0.454	4	123.6987	0.206	4	122.4885	1.179	32	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]F)2(BC[6a]N[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	122.1638	1.386	4	122.1638	1.920	4	122.1638	1.920	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]F)2(BC[6a]P)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(PCC)	C[6a](C[6a]C[6a]F)2(BC[6a]P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(PCC)	122.5122	1.483	8	122.5122	2.199	8	122.4930	3.598	12	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]F)2(BC[6a]P)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(PC[6]2)	C[6a](C[6a]C[6a]F)2(BC[6a]P){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(PC[6]2)	122.4545	2.838	4	122.4545	8.057	4	122.4930	3.598	12	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]N[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	122.0550	4.180	4	122.0550	17.469	4	122.0550	17.469	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(BC[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(BC[5]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	123.7855	7.353	2	123.7855	54.070	2	123.7855	54.070	2	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)(CSiC)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(CSiC)2	116.0820	0.000	1	116.0820	0.000	1	120.7390	5.320	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(BCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CCH)2	121.6060	0.963	2	121.6060	0.928	2	120.7390	5.320	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(BCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)2	121.4698	1.374	4	121.4698	1.889	4	120.7390	5.320	7	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)2(BCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(BCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)	121.4095	0.455	2	121.4095	0.207	2	121.4843	1.695	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)2(BCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(BCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]H)	121.5590	2.203	2	121.5590	4.855	2	121.4843	1.695	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(BC[6a]2)	118.0219	0.591	8	118.0219	0.349	8	118.0219	0.349	8	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3	116.3443	0.890	3	116.3443	0.792	3	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]B)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	122.4985	0.996	2	122.4985	0.993	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(BC[6a]2){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	121.9990	3.152	2	121.9990	9.937	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(H){1|H<1>,4|C<3>}	B(C[6a]C[6a]2)3	116.8890	0.000	1	116.8890	0.000	1	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3	115.7420	0.342	2	115.7420	0.117	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3	116.3070	0.000	1	116.3070	0.000	1	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|B<3>,1|C<2>,1|C<3>}	B(C[6a]C[6a]2)3	118.0180	0.708	3	117.0035	1.626	6	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)3	115.9890	0.690	3	117.0035	1.626	6	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	118.2728	0.567	4	117.0442	1.804	20	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)3	117.0528	2.088	4	117.0442	1.804	20	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3	115.2753	1.043	3	117.0442	1.804	20	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3	116.6330	0.161	5	117.0442	1.804	20	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	B(C[6a]C[6a]2)3	117.6478	0.274	4	117.0442	1.804	20	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(BC[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3	116.2605	0.354	2	116.2605	0.126	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	B(C[6a]C[6a]2)3	116.6803	1.648	4	117.3313	2.716	6	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)3	118.6335	0.585	2	117.3313	2.716	6	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3	120.1940	0.000	1	120.1940	0.000	1	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	120.8240	0.000	1	121.6452	2.270	5	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	122.2865	2.418	2	121.6452	2.270	5	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	121.4145	1.278	2	121.6452	2.270	5	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	121.6822	1.796	4	121.6822	3.224	4	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.9068	2.150	4	121.9068	4.624	4	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	121.5295	0.438	2	121.5295	0.192	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	122.0260	0.000	1	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	121.2272	1.642	4	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	B(C[6a]C[6a]2)3	121.8650	0.000	1	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)3	122.1520	0.000	1	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	121.6000	0.827	2	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	123.1630	1.997	2	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	121.5857	0.721	16	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)3	121.7360	1.229	2	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	B(C[6a]C[6a]2)3	121.8295	0.960	2	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<1>}	B(C[6a]C[6a]2)3	121.9260	0.000	1	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	121.9074	0.914	21	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	B(C[6a]C[6a]2)3	121.8868	0.849	4	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)3	121.1575	0.350	2	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	121.6672	1.090	9	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)3	121.6812	1.028	46	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	121.7855	1.417	4	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	121.9480	0.000	1	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	121.7830	0.187	2	121.7340	0.938	121	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	120.3610	0.000	1	120.6076	2.284	11	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	120.6323	1.591	10	120.6076	2.284	11	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	122.1225	1.125	2	122.1225	1.266	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]B)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	B(C[6a]C[6a]2)3	120.5675	0.173	2	120.5675	0.030	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	B(C[6a]C[6a]2)3	123.0710	0.610	2	122.0250	1.605	4	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3	120.9790	0.257	2	122.0250	1.605	4	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H){1|H<1>,1|P<3>,3|C<3>}	B(C[6a]C[6a]2)3	121.1090	0.000	1	120.8083	0.148	3	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H){1|H<1>,1|P<4>,3|C<3>}	B(C[6a]C[6a]2)3	120.9420	0.000	1	120.8083	0.148	3	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3	120.3740	0.000	1	120.8083	0.148	3	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]B)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(BC[6a]2){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3	121.8230	0.000	1	121.8230	0.000	1	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	116.3840	0.000	1	116.3840	0.000	1	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	115.2210	0.000	1	116.3235	2.431	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	117.4260	0.000	1	116.3235	2.431	2	120.6309	5.149	208	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(NCC)	117.9630	0.000	1	117.9630	0.000	1	120.6283	5.546	3	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]H)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NCC)	121.9610	0.660	2	121.9610	0.436	2	120.6283	5.546	3	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(BCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(BCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	121.2480	0.988	4	121.2480	0.977	4	121.2480	0.977	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(BNN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NCC)2	121.4890	0.049	2	121.7225	0.114	4	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(BNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(NCC)2	121.9560	0.349	2	121.7225	0.114	4	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NC[6a]H)2	C[6a](C[6a]C[6a]H)2(BNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[6a]H)2	121.8200	0.728	2	121.8200	0.530	2	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NC[6a]Li)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(BNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[6a]Li)(NC[6a]H)	121.9220	3.800	2	121.9220	14.440	2	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(NSbC)2	C[6a](C[6a]C[6a]H)2(BNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NSbC)2	121.5870	0.000	1	121.5870	0.000	1	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)2(H)	B(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(BNN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)2(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NCC)2	121.6810	0.341	2	121.5853	1.309	8	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(BNN)	C[6a](C[6a]C[6a]B)2(H)	B(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]H)2(BNN){1|C<3>,2|B<3>}	C[6a](C[6a]C[6a]B)2(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NCC)2	121.5533	1.343	6	121.5853	1.309	8	121.6849	1.545	17	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(BPP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(PCC)2	C[6a](C[6a]C[6a]H)2(BPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(PCC)2	121.6925	4.369	2	121.6925	19.090	2	121.5060	6.539	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(BPP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(PC[6a]C)2	C[6a](C[6a]C[6a]H)2(BPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(PC[6a]C)2	121.3195	0.623	2	121.3195	0.388	2	121.5060	6.539	4	121.2763	7.231	631	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]C)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BC[6a]C){1|Pt<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<3>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CCHH)	122.7813	1.646	36	122.7813	2.710	36	122.7482	4.864	62	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CC[6,6]HH)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6,6]HH)	122.6218	1.928	4	122.6218	3.718	4	122.7482	4.864	62	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CC[6a]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]2H)	122.1723	0.670	4	122.1723	0.449	4	122.7482	4.864	62	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CC[6a]SiH)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]SiH)	122.3805	5.024	4	122.3805	25.241	4	122.7482	4.864	62	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CH3)	122.8775	0.963	6	122.8775	0.928	6	122.7482	4.864	62	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(CZrCH)	C[6a](C[6a]C[6a]F)2(BC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CZrCH)	123.0374	3.896	8	123.0374	15.180	8	122.7482	4.864	62	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)2(C[5]C[5]2H)	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)	122.9829	4.129	8	122.9829	17.052	8	122.9829	17.052	8	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	121.3255	1.365	2	121.3255	1.864	2	121.3997	0.934	6	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CHHP)	121.4368	0.964	4	121.4368	0.930	4	121.3997	0.934	6	122.5219	7.287	77	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]F)2(BCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(CC3)(NBC)	C[6a](C[6a]C[6a]F)2(BCN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CC3)(NBC)	122.2510	2.479	2	122.2510	6.146	2	122.2510	6.146	2	122.2510	6.146	2	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BCC)	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H)	B(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(BCC){1|Pt<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]B)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<3>}	B(C[6a]C[6,6a]C[6a])(CH3)2	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	120.0631	14.438	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(CC[6a]SiH)2	C[6a](C[6a]C[6a]F)2(BCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CC[6a]SiH)2	122.3798	1.914	4	122.3798	3.662	4	122.3798	3.662	4	120.0631	14.438	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|P<4>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	120.0631	14.438	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CC[6a]SiH)2	C[6a](C[6a]C[6a]H)2(BCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]SiH)2	121.7900	0.102	2	121.7900	0.010	2	121.9077	0.065	4	120.0631	14.438	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(BCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CHHP)2	122.0255	0.359	2	122.0255	0.129	2	121.9077	0.065	4	120.0631	14.438	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2	117.1570	1.655	2	117.1570	2.738	2	117.1570	2.738	2	120.0631	14.438	12	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	4:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](BC[5,6]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[6a](BC[5,6]C[6a])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	122.7575	3.360	4	122.7575	11.290	4	122.7575	11.290	4	121.6845	9.822	31	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2	122.1977	1.111	4	122.1977	1.235	4	122.3487	3.657	8	121.6845	9.822	31	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F)	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(BC[6a]C[5]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2	122.4998	2.690	4	122.4998	7.238	4	122.3487	3.657	8	121.6845	9.822	31	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	118.5540	2.652	2	118.5540	7.031	2	121.4244	11.858	18	121.6845	9.822	31	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	121.7832	3.426	16	121.7832	11.734	16	121.4244	11.858	18	121.6845	9.822	31	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]C[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H)	B(C[6]C[6]2Pd)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6]C[6]2Pd)(C[6a]C[6a]2)2	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	121.6845	9.822	31	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.1160	0.000	1	123.4740	0.613	5	123.4740	0.613	5	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.5635	0.874	4	123.4740	0.613	5	123.4740	0.613	5	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.4790	0.000	1	122.4790	0.000	1	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	124.2240	0.266	2	123.9696	0.167	5	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	B(C[6a]C[6a]2)(OH)2	124.0500	0.081	2	123.9696	0.167	5	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.3000	0.000	1	123.9696	0.167	5	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]B)2(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)2(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.2330	0.082	2	123.2330	0.007	2	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	124.2870	0.878	2	124.2870	0.771	2	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(BOO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.8500	0.000	1	123.8500	0.000	1	123.7470	0.442	11	123.6617	0.476	16	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(BC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(CC)	B(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(BC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(CC){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(OH)	124.6430	0.000	1	124.6430	0.000	1	125.2080	0.239	3	124.0870	2.511	5	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	B(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(OH)	125.4905	0.005	2	125.4905	0.000	2	125.2080	0.239	3	124.0870	2.511	5	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	B(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]O)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	B(C[6a]C[6a]2)2(OH)	122.4055	0.377	2	122.4055	0.142	2	122.4055	0.142	2	124.0870	2.511	5	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3	125.1703	0.920	3	124.8953	0.526	7	124.8953	0.526	7	124.8953	0.526	7	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	124.6890	0.597	4	124.8953	0.526	7	124.8953	0.526	7	124.8953	0.526	7	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	B(C[6a]C[6a]2)(OC)(OH)	129.0610	0.000	1	129.0610	0.000	1	129.0610	0.000	1	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	126.3177	1.392	4	126.3845	1.178	6	126.3845	1.178	6	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	126.5180	0.158	2	126.3845	1.178	6	126.3845	1.178	6	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CHO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CHO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	128.0240	0.000	1	128.0240	0.000	1	125.4584	11.807	7	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	122.8200	0.000	1	122.8200	0.000	1	125.4584	11.807	7	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHN)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	129.5640	0.283	2	129.5640	0.080	2	125.4584	11.807	7	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(COO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	123.1710	0.587	2	123.1710	0.344	2	125.4584	11.807	7	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	121.8950	0.000	1	121.8950	0.000	1	125.4584	11.807	7	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OAl)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	B(C[6a]C[6a]2)(OAl)(OH)	126.1130	1.007	2	126.1130	1.014	2	125.1217	2.211	10	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OB)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	B(C[6a]C[6a]2)(OB)(OH)	124.9190	1.068	2	124.9190	1.140	2	125.1217	2.211	10	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OGe[6])(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	B(C[6a]C[6a]2)(OGe[6])(OH)	125.9980	0.000	1	125.9980	0.000	1	125.1217	2.211	10	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	B(C[6a]C[6a]2)(OH)2	124.5460	0.337	2	124.5460	0.113	2	125.1217	2.211	10	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OSi)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	B(C[6a]C[6a]2)(OSi)2	126.1650	0.703	2	126.1650	0.494	2	125.1217	2.211	10	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(BOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|Cl<1>,1|H<1>,3|C<3>}	B(C[6a]C[6a]2)(OH)2	121.7330	0.000	1	121.7330	0.000	1	125.1217	2.211	10	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	B(C[6a]C[6a]2)(OH)2	123.4140	0.000	1	123.4140	0.000	1	123.4140	0.000	1	125.6083	4.979	25	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]C)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BC[6a]Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]C){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(Cl)	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	121.4409	6.554	9	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:Br-1:	C[6a](C[6a]C[6a]2)2(BBrN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(NHN)(Br)	C[6a](C[6a]C[6a]2)2(BBrN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	B(C[6a]C[6a]2)(NHN)(Br)	120.4875	0.660	2	120.5978	4.371	6	120.5978	4.371	6	121.4409	6.554	9	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:Br-1:	C[6a](C[6a]C[6a]2)2(BBrN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)(NHN)(Br)	C[6a](C[6a]C[6a]2)2(BBrN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|H<1>,4|C<3>}	B(C[6a]C[6a]2)(NHN)(Br)	120.6530	2.670	4	120.5978	4.371	6	120.5978	4.371	6	121.4409	6.554	9	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	B(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	B(C[6a]C[6a]2)2(Cl)	126.4810	0.000	1	126.4810	0.000	1	126.4810	0.000	1	121.4409	6.554	9	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2)	B(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NCC)(H)	120.7760	0.000	1	120.7760	0.000	1	120.7760	0.000	1	121.4409	6.554	9	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O)	C[6a](C[6a]C[5a,6a]B)(C[6a]C[6a]2)(C[6a]C[6a]H)	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]B)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	123.2350	6.419	3	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(OC)	124.6460	0.945	2	124.6460	0.892	2	124.6460	0.892	2	123.2350	6.419	3	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(BC[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(CCH)	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(BC[5a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]N[6])	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]2)(C[6a]C[6a]H)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]N[6]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	B(C[6a]C[6a]2)3	126.9350	0.000	1	126.9350	0.000	1	126.4810	0.304	3	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	B(C[6a]C[6a]2)3	126.6400	0.000	1	126.2540	0.298	2	126.4810	0.304	3	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	B(C[6a]C[6a]2)3	125.8680	0.000	1	126.2540	0.298	2	126.4810	0.304	3	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(BC[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]B)(C[6a]C[6a]H){1|Zr<11>,1|C<4>,2|C<3>,3|H<1>}	B(C[6a]C[6a]2)3	125.7315	0.870	2	125.7315	0.758	2	125.7315	0.758	2	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]2){1|Si<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]B){3|H<1>,6|C<3>}	B(C[6a]C[6a]2)3	117.9740	0.000	1	117.9740	0.000	1	117.9740	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	126.9523	0.387	3	126.8855	0.343	8	126.9022	0.302	9	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	126.8454	0.721	5	126.8855	0.343	8	126.9022	0.302	9	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHO)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3	127.0360	0.000	1	127.0360	0.000	1	126.9022	0.302	9	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(BC[6a]2){1|Si<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	B(C[6a]C[6a]2)3	116.9090	0.892	2	116.9090	0.796	2	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BC[6a]2){1|Si<4>,6|C<3>}	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B){2|F<1>,5|C<3>}	B(C[6a]C[6a]2)3	122.5260	0.000	1	122.5260	0.000	1	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]2){1|Si<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B){1|Si<4>,2|F<1>,4|C<3>}	B(C[6a]C[6a]2)3	117.1905	0.343	2	117.1905	0.118	2	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]F)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(BC[6a]2){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]F){3|C<3>,4|F<1>}	B(C[6a]C[6a]2)3	124.0142	0.509	6	124.0142	0.259	6	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	B(C[6a]C[6a]2)3	126.4970	0.000	1	126.5710	0.127	4	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	B(C[6a]C[6a]2)3	126.0980	0.000	1	126.5710	0.127	4	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	B(C[6a]C[6a]2)3	126.8140	0.000	1	126.5710	0.127	4	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	B(C[6a]C[6a]2)3	126.8750	0.000	1	126.5710	0.127	4	122.7396	14.334	15	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(BC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	B(C[6a]C[6a]2)2(NCC)	125.3290	0.000	1	125.3290	0.000	1	125.3290	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	B(C[6a]C[6a]2)3	126.6200	0.000	1	126.6200	0.000	1	126.6200	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	129.5510	0.000	1	129.5510	0.000	1	125.3415	8.522	4	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	123.9383	0.984	3	123.9383	0.969	3	125.3415	8.522	4	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(BC[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	B(C[6a]C[6a]2)3	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	B(C[6a]C[6a]2)3	126.4570	0.000	1	126.4570	0.000	1	126.4570	0.000	1	124.5799	10.789	40	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]C)	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B)	B(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]C){1|Si<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]B){1|Si<4>,2|F<1>,4|C<3>}	B(C[6a]C[6a]2)2(CH3)	115.7740	0.000	1	115.7740	0.000	1	115.7740	0.000	1	115.7740	0.000	1	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	124.1520	0.000	1	124.1520	0.000	1	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	B(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OC)2	127.9590	0.000	1	127.9590	0.000	1	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	124.8220	0.000	1	124.4538	0.694	5	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	124.3618	0.932	4	124.4538	0.694	5	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHO)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	125.1410	0.000	1	125.1410	0.000	1	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OC)(OH)	123.5530	0.000	1	124.7385	2.811	2	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	B(C[6a]C[6a]2)(OC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OC)(OH)	125.9240	0.000	1	124.7385	2.811	2	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	124.9410	0.000	1	125.4553	1.155	8	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	123.7980	0.000	1	125.4553	1.155	8	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	124.2440	0.000	1	125.4553	1.155	8	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	126.1318	0.575	5	125.4553	1.155	8	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CPtHH)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CPtHH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	125.9267	0.862	4	125.9267	0.743	4	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CF3)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BOO){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	126.0440	0.000	1	126.0440	0.000	1	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)2(BOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(OH)2	120.0217	0.266	4	120.0217	0.071	4	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(OH)2	121.9735	2.558	2	121.9735	6.541	2	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C)2(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C)2(BOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(OH)2	120.7093	0.887	6	120.7093	0.787	6	123.7337	6.344	35	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(SiC3)	B(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(SiC3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(OH)2	126.5225	0.889	2	126.5225	0.790	2	126.5225	0.790	2	123.8845	6.422	37	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(BC[4]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[4]N[4,6]C[4])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]C)2(BC[4]Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[4]N[4,6]C[4])(C[6a]C[6a]2)(Cl)	120.0055	1.450	2	120.0055	2.103	2	120.2325	0.834	4	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(BC[4]Cl)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[4]N[4,6]C[4])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]C)2(BC[4]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[4]N[4,6]C[4])(C[6a]C[6a]2)(Cl)	120.4595	0.438	2	120.4595	0.192	2	120.2325	0.834	4	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:Cl-1:	C[6a](C[6a]C[6a]C)2(BClB)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[6a]C[6a]2)(BC[6a]Cl)(Cl)	C[6a](C[6a]C[6a]C)2(BClB){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)(BC[6a]Cl)(Cl)	119.5222	0.536	4	119.5222	0.287	4	119.5222	0.287	4	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]C)2(BC[6a]F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]C)2(BC[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(F)	122.0985	1.230	4	122.0985	1.513	4	121.4166	1.405	8	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]C)2(BC[6a]F)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]C)2(BC[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(F)	120.7347	0.724	4	120.7347	0.525	4	121.4166	1.405	8	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a]C[6a]C)2(BClN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(NCC)(Cl)	C[6a](C[6a]C[6a]C)2(BClN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(NCC)(Cl)	120.5985	1.493	2	120.5985	2.228	2	120.5985	2.228	2	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BHN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP)	B(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NCC)(H)	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	120.7755	1.780	19	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(BC[5]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(BC[5]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	120.3395	1.982	2	120.3395	3.928	2	120.4055	1.484	4	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(BC[5]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]C)2(BC[5]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CO)	120.4715	0.712	2	120.4715	0.507	2	120.4055	1.484	4	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[5a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C)2(BC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OC)	120.2625	0.495	4	120.2625	0.245	4	120.2625	0.245	4	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]C)2(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(CC[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(BCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CC[6a]N)(CN)	121.3240	1.332	2	121.3240	1.775	2	121.3240	1.775	2	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(CC[6]Te)(OC)	C[6a](C[6a]C[6a]C)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CC[6]Te)(OC)	120.9600	0.841	2	120.9600	0.708	2	121.6119	6.170	7	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)2(BCO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(CC[6a]C)(ON)	C[6a](C[6a]C[6a]C)2(BCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CC[6a]C)(ON)	121.8726	2.963	5	121.8726	8.781	5	121.6119	6.170	7	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(CC)	120.9806	0.553	8	120.9806	0.306	8	120.9806	0.306	8	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NP)	121.4610	0.874	12	121.4610	0.764	12	121.4610	0.764	12	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(OC)	125.0965	0.050	2	125.0965	0.003	2	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH)	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	B(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	121.2495	1.245	2	121.2495	1.551	2	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	B(C[6a]C[6a]2)2(OB[6])	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OB[6])	119.0040	0.000	1	119.0040	0.000	1	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OC)	122.3880	1.808	8	122.3880	3.270	8	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	120.7470	0.849	4	120.7470	0.721	4	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OB)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OB)	120.9451	0.389	8	120.9451	0.151	8	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OB[6])	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OB[6])	121.6960	1.220	3	121.6960	1.488	3	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OC)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OC)	121.2273	0.889	3	121.2273	0.790	3	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OC[6a])	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OC[6a])	120.9888	0.606	4	120.9888	0.367	4	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OH)	120.7029	0.850	14	120.7029	0.723	14	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OMo)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OMo)	120.8563	0.579	4	120.8563	0.335	4	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OTi)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OTi)	121.1352	0.788	8	121.1352	0.620	8	121.2528	1.677	61	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]C)2(BC[6a]S)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	B(C[6a]C[6a]2)2(SB[6])	C[6a](C[6a]C[6a]C)2(BC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(SB[6])	121.6980	0.000	1	121.6980	0.000	1	121.0807	4.655	4	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]C)2(BC[6a]S)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(SB[6])	C[6a](C[6a]C[6a]C)2(BC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(SB[6])	120.8750	2.594	3	120.8750	6.728	3	121.0807	4.655	4	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O[4]-3:O-2:	C[6a](C[6a]C[6a]C)2(BO[4]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(O[4]Ga[4]2)(OH)	C[6a](C[6a]C[6a]C)2(BO[4]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(O[4]Ga[4]2)(OH)	120.7950	0.337	2	120.7950	0.113	2	120.7950	0.113	2	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[5]-3:N-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[5]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SiC3)	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(BC[5]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(SiC3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	121.2175	1.765	105	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	121.3765	1.228	8	121.3765	1.508	8	121.1984	0.479	40	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	121.1827	0.915	4	121.1827	0.837	4	121.1984	0.479	40	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	121.1769	0.705	8	121.1769	0.496	8	121.1984	0.479	40	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	121.1389	0.307	20	121.1389	0.094	20	121.1984	0.479	40	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](BC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	120.8200	0.379	2	120.8200	0.144	2	120.8200	0.144	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[6a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	C[6a](BC[6a]N[5a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	120.9015	1.225	2	120.9015	1.502	2	120.9761	0.683	21	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](BC[6a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](BC[6a]N[5a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	120.9840	0.822	19	120.9840	0.675	19	120.9761	0.683	21	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(BC[6a]2){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B)(SiC3){1|N<3>,4|C<3>}	B(C[6a]C[6a]2)3	122.5115	0.448	2	122.5115	0.200	2	122.5115	0.200	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(SiC3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]2){1|Si<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B)(SiC3){1|H<1>,4|C<3>}	B(C[6a]C[6a]2)3	123.0355	0.121	2	123.0355	0.015	2	123.0355	0.015	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)2(BC[5]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(BC[5]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	121.2325	0.097	2	121.2325	0.009	2	121.2325	0.009	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	121.2146	1.189	8	121.2146	1.414	8	121.2146	1.414	8	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]C)2(BC[5]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]C)2(BC[5]N[6]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	120.5800	2.209	2	120.5800	4.880	2	120.5800	4.880	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[5a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC3)	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(BC[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC3){1|C<3>,2|C<4>}	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	120.6871	0.524	8	120.6871	0.275	8	120.7153	0.221	10	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[5a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC3)	B(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(BC[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC3){1|C<3>,2|C<4>}	B(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	120.8280	0.168	2	120.8280	0.028	2	120.7153	0.221	10	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[5a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]C)2(BC[5a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	121.1660	5.900	2	121.1660	34.811	2	121.1660	34.811	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	121.3985	0.598	4	121.3985	0.358	4	121.3985	0.358	4	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:N-3:	C[6a](C[6a]C[6a]C)2(BBN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH)	B(C[6a]C[6a]2)(BC[6a]N)(NCC)	C[6a](C[6a]C[6a]C)2(BBN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(BC[6a]N)(NCC)	120.9968	0.553	4	120.9968	0.306	4	120.9968	0.306	4	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)(CSiC)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CSiC)2	127.2420	0.000	1	127.2420	0.000	1	127.2420	0.000	1	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(BC[6a]2)	124.6912	0.717	8	124.6912	0.514	8	123.1879	5.807	12	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]C)2(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[6a]C[6a]2)2(BFF)	C[6a](C[6a]C[6a]C)2(BC[6a]B){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(BFF)	120.1813	1.420	4	120.1813	2.016	4	123.1879	5.807	12	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(CCH)	121.1963	0.921	23	121.1963	0.848	23	121.1163	0.802	43	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]C)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(CCN)	121.3152	1.637	4	121.3152	2.679	4	121.1163	0.802	43	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(CC[6a]C)	120.9514	0.646	16	120.9514	0.417	16	121.1163	0.802	43	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	121.0403	0.212	4	121.0403	0.045	4	121.0403	0.045	4	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)2(BC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	121.0956	0.879	20	121.0956	0.773	20	121.0956	0.773	20	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[5]HN)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	128.3210	0.000	1	128.3210	0.000	1	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	127.0900	0.772	3	126.5990	2.832	8	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)3	127.7390	0.979	3	126.5990	2.832	8	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	124.1525	0.354	2	126.5990	2.832	8	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	125.7620	0.000	1	125.7620	0.000	1	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<2>,1|C<3>,1|C<4>}	B(C[6a]C[6a]2)3	120.7803	0.864	12	120.5405	1.419	22	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>}	B(C[6a]C[6a]2)3	120.9313	1.146	4	120.5405	1.419	22	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	B(C[6a]C[6a]2)3	119.8005	1.617	6	120.5405	1.419	22	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3	121.3245	1.307	2	121.3245	1.709	2	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3	120.6412	1.479	4	120.6412	2.187	4	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3	122.5194	2.818	12	122.5194	7.943	12	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	121.2746	0.733	8	121.2746	0.537	8	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.1287	1.074	63	121.1287	1.154	63	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	121.1562	1.138	4	121.1562	1.295	4	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<1>}	B(C[6a]C[6a]2)3	121.1500	0.000	1	121.1831	0.463	413	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|P<4>}	B(C[6a]C[6a]2)3	120.6205	0.019	2	121.1831	0.463	413	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)3	121.1859	0.682	410	121.1831	0.463	413	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CH3)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(BC[6a]2){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	B(C[6a]C[6a]2)3	121.6620	0.000	1	121.6620	0.000	1	121.2809	1.392	539	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	B(C[6a]C[6a]2)2(NB[6]N)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NB[6]N)	119.8020	0.000	1	119.8020	0.000	1	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	B(C[6a]C[6a]2)2(NC[6a]B[6])	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NC[6a]B[6])	119.5140	0.000	1	119.5140	0.000	1	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	121.4395	0.209	2	121.4395	0.044	2	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NB[6]N)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NB[6]N)	121.2543	1.433	3	121.2543	2.053	3	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(NC[6a]2)	121.1035	0.196	4	121.1645	0.112	14	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NC[6a]2)	121.1889	0.383	10	121.1645	0.112	14	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NC[6a]B[6])	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NC[6a]B[6])	122.1450	2.550	3	122.1450	6.501	3	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NC[6a]C)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NC[6a]C)	121.3771	1.933	8	121.3771	3.736	8	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NC[6a]H)	121.1709	0.969	8	121.1709	0.939	8	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(NNP)	C[6a](C[6a]C[6a]C)2(BC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(NNP)	121.2605	1.741	8	121.2605	3.030	8	121.2326	1.710	48	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]C)2(BC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	120.9440	2.520	2	120.9440	6.351	2	121.0580	0.814	14	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]C)2(BC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(N[6]C[6]2)	121.0770	0.618	12	121.0770	0.382	12	121.0580	0.814	14	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]C)2(BC[6a]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(OAl2)	C[6a](C[6a]C[6a]C)2(BC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(OAl2)	121.1520	0.535	8	121.1520	0.286	8	121.1520	0.286	8	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(BC[6a]P)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(PC[6a]Fe)	C[6a](C[6a]C[6a]C)2(BC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(PC[6a]Fe)	121.6833	3.456	20	121.6833	11.944	20	121.6833	11.944	20	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C-3:	C[6a](C[6a]C[6a]C)2(BN[6]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(BN[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	121.2135	1.494	6	121.2135	2.232	6	121.2135	2.232	6	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]C)2(BPP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(PC[5]C)2	C[6a](C[6a]C[6a]C)2(BPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(PC[5]C)2	120.8290	1.242	2	120.8290	1.542	2	120.8290	1.542	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]N[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2	121.0930	0.459	4	121.0930	0.210	4	121.0930	0.210	4	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	121.0360	0.917	4	121.1274	0.716	12	121.1666	0.548	16	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	121.1731	0.870	8	121.1274	0.716	12	121.1666	0.548	16	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]N[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(N[6]C[6]N[6])(C[6a]C[6a]2)2	121.2840	0.300	4	121.2840	0.090	4	121.1666	0.548	16	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PFeCC)	B(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PFeCC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3	124.5635	0.760	2	124.5635	0.578	2	124.5635	0.578	2	121.2906	1.689	838	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a,6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]B)(SiC[6a]CC)	B(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]2)(BC[6a]C){1|Si<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]B)(SiC[6a]CC){4|C<3>}	B(C[6a]C[6a]2)2(CH3)	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:P-4:	C[6a](C[6a]C[6a]C)2(BBP)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(BC[6a]P)(PC3)	C[6a](C[6a]C[6a]C)2(BBP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(BC[6a]P)(PC3)	121.6720	0.776	2	121.6720	0.603	2	121.6720	0.603	2	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)2(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(BC[5]Br2)	C[6a](C[6a]C[6a]C)2(BC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(BC[5]Br2)	121.9145	1.326	4	121.9145	1.759	4	121.8408	7.515	24	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)2(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(BC[5]Cl2)	C[6a](C[6a]C[6a]C)2(BC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(BC[5]Cl2)	121.7415	1.698	8	121.7415	2.885	8	121.8408	7.515	24	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)2(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(BCl2P)	C[6a](C[6a]C[6a]C)2(BC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(BCl2P)	121.7674	3.178	8	121.7674	10.097	8	121.8408	7.515	24	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]C)2(BC[6a]B)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(BIIP)	C[6a](C[6a]C[6a]C)2(BC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(BIIP)	122.1125	5.041	4	122.1125	25.416	4	121.8408	7.515	24	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)2(CSnHH)	C[6a](C[6a]C[6a]C)2(BC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)2(CSnHH)	121.2931	1.994	8	121.2931	3.976	8	121.2931	3.976	8	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BN[5]C)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(BN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	120.7770	3.512	4	120.7770	12.333	4	120.7770	12.333	4	121.6919	6.695	39	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-4:Br-1:	C[6a](C[6a]C[6a]C)2(BBrB)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	C[6a](C[6a]C[6a]C)2(BBrB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(BC[6a]BrP)(Br)	121.3995	1.880	2	121.3995	3.535	2	121.3995	3.535	2	121.2942	1.499	6	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-4:Cl-1:	C[6a](C[6a]C[6a]C)2(BClB)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	C[6a](C[6a]C[6a]C)2(BClB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(BC[6a]ClP)(Cl)	121.2415	1.144	4	121.2415	1.308	4	121.2415	1.308	4	121.2942	1.499	6	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]C)2(BCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	C[6a](C[6a]C[6a]C)2(BCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	120.7310	0.453	2	120.7310	0.205	2	120.6663	0.513	8	120.6663	0.513	8	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]C)2(BCN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6a]C[6a]2)(CRhCC)(NCH)	C[6a](C[6a]C[6a]C)2(BCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6a]C[6a]2)(CRhCC)(NCH)	120.6447	0.822	6	120.6447	0.676	6	120.6663	0.513	8	120.6663	0.513	8	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(PC[6a]2F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(BC[6]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(PC[6a]2F){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2	125.6840	0.000	1	125.6840	0.000	1	126.4413	3.395	3	126.4413	3.395	3	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PAuCC)	B(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PAuCC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2	125.0980	0.000	1	125.0980	0.000	1	126.4413	3.395	3	126.4413	3.395	3	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2F)	B(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2F){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2	128.5420	0.000	1	128.5420	0.000	1	126.4413	3.395	3	126.4413	3.395	3	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(BC[5]O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)2(BC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)	120.8377	0.658	4	120.8377	0.433	4	120.8377	0.433	4	120.8377	0.433	4	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[5a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH)	B(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(BC[5a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	B(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)	120.5135	1.644	2	120.5135	2.703	2	120.5135	2.703	2	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	125.1595	3.535	2	125.1595	12.495	2	121.5119	5.250	93	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|F<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	121.1623	1.991	4	121.4317	4.926	91	121.5119	5.250	93	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	121.4159	1.931	7	121.4317	4.926	91	121.5119	5.250	93	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2	121.4466	2.275	80	121.4317	4.926	91	121.5119	5.250	93	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(BC[6a]C[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[6]C[6]2Pd)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(BC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[6]C[6]2Pd)(C[6a]C[6a]2)2	120.6080	1.819	2	120.6080	3.308	2	120.6080	3.308	2	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]C[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd)	B(C[6]C[6]2Pd)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,2|H<1>}	B(C[6]C[6]2Pd)(C[6a]C[6a]2)2	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	121.5226	5.322	98	121.4372	5.110	2660	121.5365	5.703	2721
643	643	770	0:SP2_SP2_SP2	C[6a]	C[6a]	B	3:3:3:	3:3:4:	6:3:3:	B-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a](BC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	C[6a](BC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	B(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	121.5697	5.962	4	121.5697	35.548	4	121.5697	35.548	4	121.5697	35.548	4	121.4372	5.110	2660	121.5365	5.703	2721
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a,6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a,6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a]C[3x3,4,3x5,14x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a,6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a,6a]C[6a,6a]C[6a])2{1|C<5>,5|B<6>,5|C<3>,6|H<1>}	C[6a,6a](C[6a]C[3x3,4,3x5,14x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a,6a]2){1|B<6>,1|C<4>,4|C<3>,5|H<1>}	120.8250	0.123	2	120.7633	0.035	6	120.7633	0.035	6	120.7633	0.035	6	120.7633	0.035	6	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a,6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a,6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a]C[3x3,4,3x5,14x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a,6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a,6a]C[6a,6a]C[6a])2{1|C<5>,5|B<6>,5|C<3>,6|H<1>}	C[6a,6a](C[6a]C[3x3,4,3x5,14x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a,6a]2){1|B<6>,5|C<3>,5|H<1>}	120.5920	0.013	2	120.7633	0.035	6	120.7633	0.035	6	120.7633	0.035	6	120.7633	0.035	6	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a,6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a,6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a]C[3x3,4,3x5,14x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a,6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a,6a]C[6a,6a]C[6a])2{1|C<5>,5|B<6>,5|C<3>,6|H<1>}	C[6a,6a](C[6a]C[3x3,4,3x5,14x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a,6a]2){1|Si<4>,1|B<6>,4|C<3>,5|H<1>}	120.8730	0.266	2	120.7633	0.035	6	120.7633	0.035	6	120.7633	0.035	6	120.7633	0.035	6	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3,3,5,3x6]	5:3:3:	3:3:1:	6:6:5:3:1:	C[3,3,5,3x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:C[6a]-3:H-1:	C[6a](C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6a]C[6a]H)2	C[6a](C[6a]C[3,3,5,3x6]C[6a])(C[6a]C[6a]H)(H)	C[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6a]C[6a]H)2{1|B<5>,1|C<3>,1|H<2>,3|B<6>,5|H<1>}	C[6a](C[6a]C[3,3,5,3x6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C[3,3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(C[6a]C[6a]2)(H){1|Pt<5>,1|B<6>,1|C<2>,2|C<3>,5|H<1>}	120.9785	3.055	2	120.9785	9.336	2	120.9785	9.336	2	120.9785	9.336	2	120.7572	6.606	4	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3,3,5,3x6]	5:3:3:	3:3:1:	6:6:6:3:1:	C[3,3,5,3x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:C[6a]-3:H-1:	C[6a](C[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6a]C[6a]H)2	C[6a](C[6a]C[3,3,5,3x6]C[6a])(C[6a]C[6a]H)(H)	C[3,3,5,3x6](B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<2>,4|B<6>,5|H<1>}	C[6a](C[6a]C[3,3,5,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,3|B<6>,3|H<1>}	C[3,3,5,3x6](B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(C[6a]C[6a]2)(H){1|Pt<7>,1|B<6>,2|C<3>,6|H<1>}	120.5360	3.207	2	120.5360	10.288	2	120.5360	10.288	2	120.5360	10.288	2	120.7572	6.606	4	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3,5]	5:3:3:	3:3:1:	6:3:3:3:1:	C[3,5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3,5,5]-6:N[3]-3:C[6a]-3:C[5]-3:H-1:	C[6a](C[3,5]Nb[3,5,5]C[5]N[3]H)(C[6a]C[6a]H)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H)	C[3,5](Nb[3,5,5]C[5]N[3]N[5]O[5]N)(N[3]Nb[3,5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[3,5]Nb[3,5,5]C[5]N[3]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|Nb<6>,1|N<3>,2|C<3>,2|H<1>}	C[3,5](Nb[3,5,5]C[5]N[3]N[5]O[5]N)(N[3]Nb[3,5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	121.0610	2.267	4	121.0610	5.139	4	121.0610	5.139	4	121.0610	5.139	4	121.0610	5.139	4	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3]	5:3:2:	3:3:1:	3:5:2:2:4:	C[3]-5:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-5:H[3]-2:N-2:C-4:	C[6a](C[3]C[3]H[3]CN)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3)	C[6a](C[3]C[3]H[3]CN)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|H<2>,1|N<2>}	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3){1|H<1>,2|C<3>}	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,3x5,12x6]	5:3:2:	3:3:1:	6:6:5:5:3:	C[3x3,3x5,12x6]-5:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C[6a]-3:	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[3x3,3x5,12x6]N[6a])(C[6a]C[6a]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S)(C[6a]C[6a]N[6a])	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|B<5>,3|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,3x5,12x6]N[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|C<5>,1|H<1>,2|B<6>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	123.3990	0.000	1	123.3990	0.000	1	123.3990	0.000	1	123.3990	0.000	1	121.1465	4.469	13	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,3x5,12x6]	5:3:3:	3:3:1:	6:6:5:5:3:	C[3x3,3x5,12x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:C[6a]-3:	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[6a])(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2S)(C[6a]C[6a]2)	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)2{1|S<3>,2|C<3>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[6a])(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2S)(C[6a]C[6a]2){1|B<6>,1|H<2>,4|C<3>,7|H<1>}	120.7678	2.749	4	120.7678	7.558	4	120.7678	7.558	4	120.9686	3.298	8	121.1465	4.469	13	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,3x5,12x6]	5:3:3:	3:3:1:	6:6:5:5:3:	C[3x3,3x5,12x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C[6a]-3:	C[6a](C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)2(C[6a]C[6a]2)	C[6a](C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(C[6a]C[6a]H)2{1|C<3>,2|B<5>,3|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|B<6>,2|C<5>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)2(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	121.1615	0.285	2	121.1695	0.029	4	121.1695	0.029	4	120.9686	3.298	8	121.1465	4.469	13	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,3x5,12x6]	5:3:3:	3:3:1:	6:6:5:5:3:	C[3x3,3x5,12x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C[6a]-3:	C[6a](C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)2(C[6a]C[6a]2)	C[6a](C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2)(C[6a]C[6a]H)2{1|C<3>,2|B<5>,3|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|B<6>,2|C<5>,2|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)2(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	121.1775	0.078	2	121.1695	0.029	4	121.1695	0.029	4	120.9686	3.298	8	121.1465	4.469	13	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,3x5,12x6]	5:3:3:	3:3:1:	6:6:6:5:3:	C[3x3,3x5,12x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C[6a]-3:	C[6a](C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6a])(C[6a]C[6a]2)	C[6a](C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)2{1|B<5>,1|H<2>,2|C<3>,4|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,2|H<1>,3|B<6>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6a])(C[6a]C[6a]2){1|B<6>,1|S<3>,4|C<3>,6|H<1>}	120.9393	2.889	4	120.9393	8.349	4	120.9393	8.349	4	120.9393	8.349	4	121.1465	4.469	13	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,10x6]	5:3:3:	3:3:1:	6:6:5:6:3:	C[3x3,4,3x5,10x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[3x3,4,4,5x5,22x6]-6:B[4x3,4,5x5,14x6]-6:B[3x3,4,3x5,10x6]-5:B[5x3,3x5,14x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,10x6]B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[4x3,4,5x5,14x6]B[5x3,3x5,14x6])(C[6a]C[6a]F)2	C[6a](C[6a]C[3x3,4,3x5,10x6]C[6a])(C[6a]C[6a]F)(F)	C[3x3,4,3x5,10x6](B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[3x3,4,3x5,12x6]C[3x3,4,3x5,12x6]B[5x3,4x5,12x6]H)(B[4x3,4,5x5,14x6]C[3x3,4,3x5,12x6]B[5x3,3x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]H)(B[3x3,4,3x5,10x6]B[3x3,4,4,5x5,22x6]B[4x3,4,5x5,14x6]B[5x3,3x5,14x6]H)(B[5x3,3x5,14x6]B[3x3,4,3x5,10x6]B[4x3,4,5x5,14x6]2B[5x3,3x5,18x6]H)(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,10x6]B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[4x3,4,5x5,14x6]B[5x3,3x5,14x6])(C[6a]C[6a]F)2{1|B<5>,1|C<3>,1|C<5>,2|F<1>,4|B<6>,4|H<1>}	C[6a](C[6a]C[3x3,4,3x5,10x6]C[6a])(C[6a]C[6a]F)(F){1|B<5>,1|C<3>,2|F<1>,3|B<6>}	C[3x3,4,3x5,10x6](B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[3x3,4,3x5,12x6]C[3x3,4,3x5,12x6]B[5x3,4x5,12x6]H)(B[4x3,4,5x5,14x6]C[3x3,4,3x5,12x6]B[5x3,3x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]H)(B[3x3,4,3x5,10x6]B[3x3,4,4,5x5,22x6]B[4x3,4,5x5,14x6]B[5x3,3x5,14x6]H)(B[5x3,3x5,14x6]B[3x3,4,3x5,10x6]B[4x3,4,5x5,14x6]2B[5x3,3x5,18x6]H)(C[6a]C[6a]2){1|B<6>,2|F<1>,3|C<3>,5|H<1>}	119.9065	8.953	2	119.9065	80.150	2	119.9065	80.150	2	119.9065	80.150	2	119.9065	80.150	2	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,12x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,12x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[3x3,4,4,5x5,22x6]-6:B[4x3,4,5x5,14x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,12x6]B[3x3,4,4,5x5,22x6]B[4x3,4,5x5,14x6]B[5x3,4x5,12x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,12x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,12x6](B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[3x3,4,3x5,12x6]C[3x3,4,3x5,10x6]B[5x3,4x5,12x6]H)(B[4x3,4,5x5,14x6]C[3x3,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]H)(B[5x3,4x5,12x6]B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,12x6]B[5x3,4x5,12x6]2H)(B[5x3,4x5,12x6]B[4x3,4,5x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]2H)(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,12x6]B[3x3,4,4,5x5,22x6]B[4x3,4,5x5,14x6]B[5x3,4x5,12x6]2)(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<5>,2|B<5>,3|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,12x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,12x6](B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[3x3,4,3x5,12x6]C[3x3,4,3x5,10x6]B[5x3,4x5,12x6]H)(B[4x3,4,5x5,14x6]C[3x3,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]H)(B[5x3,4x5,12x6]B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,12x6]B[5x3,4x5,12x6]2H)(B[5x3,4x5,12x6]B[4x3,4,5x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]2H)(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	123.3800	0.000	1	123.3800	0.000	1	120.4395	17.293	2	120.4395	17.293	2	120.4395	17.293	2	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,12x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,12x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[3x3,4,4,5x5,22x6]-6:B[4x3,4,5x5,14x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,12x6]B[3x3,4,4,5x5,22x6]B[4x3,4,5x5,14x6]B[5x3,4x5,12x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,12x6]C[6a])(C[6a]C[6a]Ir)(H)	C[3x3,4,3x5,12x6](B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[3x3,4,3x5,12x6]C[3x3,4,3x5,10x6]B[5x3,4x5,12x6]H)(B[4x3,4,5x5,14x6]C[3x3,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]H)(B[5x3,4x5,12x6]B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,12x6]B[5x3,4x5,12x6]2H)(B[5x3,4x5,12x6]B[4x3,4,5x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]2H)(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,12x6]B[3x3,4,4,5x5,22x6]B[4x3,4,5x5,14x6]B[5x3,4x5,12x6]2)(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<5>,2|B<5>,3|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,12x6]C[6a])(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,12x6](B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,10x6]B[3x3,4,3x5,12x6]C[3x3,4,3x5,10x6]B[5x3,4x5,12x6]H)(B[4x3,4,5x5,14x6]C[3x3,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]H)(B[5x3,4x5,12x6]B[3x3,4,4,5x5,22x6]B[3x3,4,3x5,12x6]B[5x3,4x5,12x6]2H)(B[5x3,4x5,12x6]B[4x3,4,5x5,14x6]B[5x3,3x5,18x6]B[5x3,4x5,12x6]2H)(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	117.4990	0.000	1	117.4990	0.000	1	120.4395	17.293	2	120.4395	17.293	2	120.4395	17.293	2	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:2:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]N[6a])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]N[6a]){1|B<6>,1|N<2>,3|C<3>,5|H<1>}	128.0840	0.000	1	128.0840	0.000	1	128.0840	0.000	1	128.0840	0.000	1	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	5:5:5:5:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-5:B[5x3,4x5,17x6]-5:B[4x3,4,5x5,21x6]-5:B[4x3,4,5x5,21x6]-5:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,2|H<1>,5|B<5>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,4|B<5>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])2(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	120.6647	1.116	4	120.6087	0.668	11	120.6087	0.668	11	120.6087	0.668	11	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	5:5:5:5:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-5:B[5x3,4x5,17x6]-5:B[4x3,4,5x5,21x6]-5:B[4x3,4,5x5,21x6]-5:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,2|H<1>,5|B<5>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,4|B<5>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])2(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	120.5767	0.698	7	120.6087	0.668	11	120.6087	0.668	11	120.6087	0.668	11	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[5,6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[5,6a]C[6a])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|C<5>,3|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[5,6a]C[6a]){1|B<6>,3|C<3>,7|H<1>}	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.8080	0.000	1	120.7973	0.433	7	120.7973	0.433	7	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.7955	0.720	6	120.7973	0.433	7	120.7973	0.433	7	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.8135	0.269	2	120.8135	0.073	2	120.8135	0.073	2	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]F)(F)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]F)2{1|C<3>,1|C<5>,2|F<1>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,2|F<1>,3|C<3>,5|H<1>}	122.9242	1.541	6	123.0327	1.446	16	123.0327	1.446	16	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]F)(F)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]F)2{1|C<3>,1|C<5>,2|F<1>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|C<5>,1|F<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,2|F<1>,3|C<3>,5|H<1>}	123.7335	0.538	2	123.0327	1.446	16	123.0327	1.446	16	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]F)(F)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]F)2{1|C<3>,1|C<5>,2|F<1>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,2|F<1>,3|C<3>,5|H<1>}	122.9389	1.096	8	123.0327	1.446	16	123.0327	1.446	16	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5,6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	119.6040	0.000	1	119.8340	0.477	7	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5,6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	119.8723	0.748	6	119.8340	0.477	7	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a,6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	118.8420	1.344	2	118.8420	1.805	2	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5x3,5x5,20x6]C[6a])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|C<5>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5x3,5x5,20x6]C[6a])(H){1|C<3>,1|C<6>,2|H<1>,8|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.0277	1.159	4	120.0277	1.343	4	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]2)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.6040	0.000	1	119.6766	0.688	5	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]2)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,3|C<3>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|P<4>,2|C<3>,7|H<1>}	119.4447	0.747	4	119.6766	0.688	5	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]C[6])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.8012	1.093	5	120.8012	1.194	5	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6a]C[6a]2){1|B<6>,5|C<3>,7|H<1>}	120.9990	1.240	4	120.9990	1.538	4	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6a])2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,3|C<3>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6a])2(C[6a]C[6a]2){1|B<6>,7|C<3>,7|H<1>}	120.8605	2.781	4	120.8605	7.735	4	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.8820	1.601	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	121.0030	2.393	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.6200	1.191	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.8038	1.175	6	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	121.0946	1.572	12	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	121.2180	0.366	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	121.0090	0.652	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.5605	0.470	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	121.0595	0.965	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<2>,2|C<3>,7|H<1>}	120.7283	1.305	4	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.4741	0.961	14	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	120.6265	1.367	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,4|C<3>,5|H<1>}	120.6052	1.456	8	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|N<2>,2|C<3>,7|H<1>}	120.6972	0.930	4	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|N<3>,2|C<3>,7|H<1>}	120.6895	1.370	8	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|O<1>,2|C<3>,7|H<1>}	121.0520	0.424	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|P<3>,2|C<3>,7|H<1>}	120.9130	0.044	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.4931	1.044	28	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,5|C<3>,5|H<1>}	120.4377	1.691	6	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|Se<2>,1|B<6>,2|C<3>,7|H<1>}	120.7943	1.005	6	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|Si<4>,1|B<6>,2|C<3>,7|H<1>}	120.2163	0.779	6	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<2>,2|C<3>,7|H<1>}	120.8505	2.020	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.9100	0.266	2	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.7983	1.221	22	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.8700	0.000	1	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	121.5788	1.034	5	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	119.9213	0.874	4	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.8868	2.262	4	120.7044	1.358	162	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]Ir)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.4975	1.101	4	119.9048	2.831	8	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]Ir)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	119.3120	2.111	4	119.9048	2.831	8	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,1|N<2>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	120.8480	0.000	1	120.8480	0.000	1	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]N[6a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<5>,1|N<2>,5|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,3|C<3>,7|H<1>}	121.2050	0.000	1	121.2050	0.000	1	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])2(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|C<5>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])2(H){1|C<3>,2|H<1>,8|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	121.0033	0.565	4	120.4311	1.065	10	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6a]-3:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])2(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2)	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]H)2{1|C<3>,3|C<5>,4|H<1>,5|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])2(H){1|C<3>,2|H<1>,8|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	120.0497	1.135	6	120.4311	1.065	10	120.5924	1.488	213	120.7346	2.011	239	120.7584	2.157	251	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[3x3,5,5,4x6]	5:3:3:	3:3:1:	6:6:6:5:3:	C[3x3,5,5,4x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3,3,5,3x6]-6:B[3,3,5,3x6]-5:C[6a]-3:	C[6a](C[3x3,5,5,4x6]B[3,3,5,3x6]2B[5x3,5,5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,5,5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[3x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)2(B[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]MnPtH)(B[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]PtH)(C[6a]C[6a]2)	C[6a](C[3x3,5,5,4x6]B[3,3,5,3x6]2B[5x3,5,5,6]2)(C[6a]C[6a]H)2{1|Mn<7>,1|Pt<7>,1|B<7>,1|C<3>,1|H<2>,2|B<6>,5|H<1>}	C[6a](C[6a]C[3x3,5,5,4x6]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,2|H<1>,3|B<6>}	C[3x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)2(B[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]MnPtH)(B[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]PtH)(C[6a]C[6a]2){1|B<5>,1|H<2>,2|C<3>,4|H<1>}	120.4430	0.864	2	120.4430	0.747	2	120.4430	0.747	2	120.4430	0.747	2	120.4430	0.747	2	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[4x3,4,3x5]	5:3:3:	3:3:1:	6:6:6:5:3:	C[4x3,4,3x5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4x4,5,5]-6:B[5x3,4x4,5,5]-6:B[5x3,4x4,5,5]-6:B[4x3,4,3x5]-5:C[6a]-3:	C[6a](C[4x3,4,3x5]B[5x3,4x4,5,5]3B[4x3,4,3x5])(C[6a]C[6a]H)2	C[6a](C[6a]C[4x3,4,3x5]C[6a])(C[6a]C[6a]H)(H)	C[4x3,4,3x5](B[5x3,4x4,5,5]B[5x3,4x4,5,5]2B[4x3,4,3x5]2H)3(B[4x3,4,3x5]B[5x3,4x4,5,5]3H)(C[6a]C[6a]2)	C[6a](C[4x3,4,3x5]B[5x3,4x4,5,5]3B[4x3,4,3x5])(C[6a]C[6a]H)2{1|B<6>,1|C<3>,2|B<5>,6|H<1>}	C[6a](C[6a]C[4x3,4,3x5]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,2|H<1>,3|B<6>}	C[4x3,4,3x5](B[5x3,4x4,5,5]B[5x3,4x4,5,5]2B[4x3,4,3x5]2H)3(B[4x3,4,3x5]B[5x3,4x4,5,5]3H)(C[6a]C[6a]2){2|C<3>,5|H<1>}	120.7025	1.662	2	120.7025	2.764	2	120.7025	2.764	2	120.7025	2.764	2	120.7025	2.764	2	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[4x3,4,4,5]	5:3:3:	3:3:1:	5:5:6:6:3:	C[4x3,4,4,5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4x3,4,4,5]-5:B[4x3,4,4,5]-5:B[5x3,5x4]-6:B[5x3,5x4]-6:C[6a]-3:	C[6a](C[4x3,4,4,5]B[4x3,4,4,5]2B[5x3,5x4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[4x3,4,4,5]C[6a])(C[6a]C[6a]H)(H)	C[4x3,4,4,5](B[4x3,4,4,5]B[4x3,4,4,5]B[5x3,5x4]2H)2(B[5x3,5x4]B[4x3,4,4,5]4H)2(C[6a]C[6a]2)	C[6a](C[4x3,4,4,5]B[4x3,4,4,5]2B[5x3,5x4]2)(C[6a]C[6a]H)2{1|C<3>,2|B<5>,6|H<1>}	C[6a](C[6a]C[4x3,4,4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|B<5>,2|B<6>,2|H<1>}	C[4x3,4,4,5](B[4x3,4,4,5]B[4x3,4,4,5]B[5x3,5x4]2H)2(B[5x3,5x4]B[4x3,4,4,5]4H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.4700	0.264	4	120.4700	0.070	4	120.4700	0.070	4	120.4700	0.070	4	120.4700	0.070	4	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[4x3,4x5,4x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[4x3,4x5,4x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[6a]-3:	C[6a](C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]H)2	C[6a](C[6a]C[4x3,4x5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(C[6a]C[6a]2)	C[6a](C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]H)2{1|C<3>,4|B<6>,6|H<1>}	C[6a](C[6a]C[4x3,4x5,4x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(C[6a]C[6a]2){1|B<5>,2|C<3>,6|H<1>}	121.3980	0.041	2	121.3980	0.002	2	121.3980	0.002	2	120.8100	0.646	4	120.8100	0.646	4	120.7445	2.641	295
643	643	778	0:SP2_SP2_SPD5	C[6a]	C[6a]	C[4x3,4x5,4x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[4x3,4x5,4x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C[6a]-3:	C[6a](C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[4x3,4x5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[6a]C[6a]2)	C[6a](C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6])(C[6a]C[6a]H)2{1|C<3>,4|B<6>,6|H<1>}	C[6a](C[6a]C[4x3,4x5,4x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,3|B<6>}	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[6a]C[6a]2){1|B<5>,2|C<3>,6|H<1>}	120.2220	0.744	2	120.2220	0.553	2	120.2220	0.553	2	120.8100	0.646	4	120.8100	0.646	4	120.7445	2.641	295
643	643	781	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	N[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[6a,6a]-3:N[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:C-4:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a]CC)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2{1|B<4>,1|H<1>,3|C<3>}	116.2360	0.000	1	116.2360	0.000	1	116.2360	0.000	1	116.2360	0.000	1	119.2673	6.893	3	119.2673	6.893	3
643	643	781	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	N[6a]	3:4:3:	3:3:1:	3:4:1:1:	C[6a,6a]-3:N[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:B[6a]-4:H-1:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]HH)(C[6a]C[6a]F)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]HH)(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2{1|F<1>,8|C<3>}	120.7830	0.042	2	120.7830	0.002	2	120.7830	0.002	2	120.7830	0.002	2	119.2673	6.893	3	119.2673	6.893	3
643	643	781	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	N[6a]	3:4:3:	3:3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:H-1:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]HH)(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]HH)(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F){1|B<4>,2|H<1>,3|C<3>,3|F<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2{1|F<1>,8|C<3>}	117.5505	0.108	2	117.5505	0.012	2	117.5505	0.012	2	117.5505	0.012	2	118.4760	2.576	3	118.4760	2.576	3
643	643	781	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	N[6a]	3:4:3:	3:4:3:	3:3:4:4:	C[6a,6a]-3:N[6a]-4:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:C-4:	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a]CC)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2{1|B<4>,1|H<1>,3|C<3>}	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	118.4760	2.576	3	118.4760	2.576	3
643	643	786	0:SP2_SP2_SP3	C[6,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O[5]-2:O[5]-2:	C[6,6a](B[5,6]N[6,6]O[5]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]B[5,6])(C[6a]C[6a]Br)(H)	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2	C[6,6a](B[5,6]N[6,6]O[5]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]B[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|O<2>}	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2{1|O<2>,2|H<1>,4|C<3>,4|C<4>}	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5,6]	4:3:3:	3:3:1:	4:3:3:3:	B[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](B[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]B[5,5,6]C[6a])(C[6a]C[6a]F)(F)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	C[6a](B[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]B[5,5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	123.4502	2.326	4	123.4502	5.412	4	123.4502	5.412	4	123.4502	5.412	4	123.3058	3.121	9	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5,6]	4:3:3:	3:3:1:	4:4:2:3:	B[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[6a](B[5,5,6]C[5,5]C[5,6]O[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]B[5,5,6]C[6a])(C[6a]C[6a]F)(F)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](B[5,5,6]C[5,5]C[5,6]O[5,6])(C[6a]C[6a]F)2{1|C<3>,1|P<4>,2|F<1>,3|C<4>,3|H<1>}	C[6a](C[6a]B[5,5,6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|O<2>,2|C<4>,2|F<1>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2){2|F<1>,3|H<1>,4|C<3>}	123.1902	1.465	5	123.1902	2.145	5	123.1902	2.145	5	123.1902	2.145	5	123.3058	3.121	9	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:2:	3:2:1:	3:4:2:2:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:2:	3:3:1:	3:4:2:2:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,9|H<1>}	123.8040	0.000	1	124.2375	0.376	2	124.2375	0.376	2	124.2375	0.376	2	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:2:	3:3:1:	3:4:2:2:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	124.6710	0.000	1	124.2375	0.376	2	124.2375	0.376	2	124.2375	0.376	2	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:2:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(Br)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	127.1690	0.000	1	127.1690	0.000	1	127.1690	0.000	1	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(F)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]F)(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]F)(H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	117.8500	0.000	1	117.8500	0.000	1	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[5a]C[6a])(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[5a]C[6a])(H){1|C<4>,1|F<1>,1|N<4>,2|O<2>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	120.7570	0.000	1	120.7570	0.000	1	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]F)(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|F<1>,5|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]F)(H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	120.7780	0.728	4	120.7780	0.530	4	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	122.1505	0.166	2	121.6817	0.825	14	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	121.7025	0.917	2	121.6817	0.825	14	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	121.5385	1.480	2	121.6817	0.825	14	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	121.5951	1.009	8	121.6817	0.825	14	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	121.7350	2.654	2	121.5935	3.022	4	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	121.4520	1.393	2	121.5935	3.022	4	121.3182	1.611	24	121.6853	3.257	26	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	4:4:3:3:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](B[5,5]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H)	B[5,5](C[5,5,6]C[5,6]2C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](B[5,5]C[5,5,6]2C[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5,5,6]C[5,6]2C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){12|C<3>,2|C<4>,2|H<1>}	122.5880	4.756	2	122.5880	22.620	2	122.5880	22.620	2	122.5880	22.620	2	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,5]	4:3:3:	3:3:4:	4:3:2:2:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<4>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	126.6020	0.000	1	126.6020	0.000	1	126.6020	0.000	1	126.6020	0.000	1	121.9841	5.067	33	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:O[6]-2:O[5]-2:	C[6a](B[5,6]N[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]H)(H)	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[6a](B[5,6]N[5,6]O[5]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	121.4970	1.816	2	121.6720	1.316	4	121.6720	1.316	4	121.6720	1.316	4	122.5459	2.138	16	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:O[6]-2:O[5]-2:	C[6a](B[5,6]N[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]H)(H)	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[6a](B[5,6]N[5,6]O[5]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	121.8470	0.727	2	121.6720	1.316	4	121.6720	1.316	4	121.6720	1.316	4	122.5459	2.138	16	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:3:	B[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6a](B[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]F)(F)	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O)	C[6a](B[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]F)2{1|O<1>,1|P<4>,2|F<1>,5|C<3>}	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O){1|Si<4>,2|F<1>,9|C<3>}	123.3580	2.068	2	123.3580	4.275	2	123.3580	4.275	2	123.3580	4.275	2	122.5459	2.138	16	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	4:3:4:3:	B[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6a]-3:	C[6a](B[5,6]C[5,6]N[6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]H)(H)	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](B[5,6]C[5,6]N[6,6]C[5])(C[6a]C[6a]H)2{3|H<1>,8|C<3>}	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	B[5,6](C[5,6]C[6,6a]C[6a]C[5])(N[6,6]C[6,6]C[6])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){12|C<3>,3|H<1>}	122.2662	0.897	6	122.2662	0.805	6	122.2662	0.805	6	122.2662	0.805	6	122.5459	2.138	16	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	4:4:3:4:	B[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[6a](B[5,6]C[5,6]P[5,6]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]F)(F)	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](B[5,6]C[5,6]P[5,6]C[5])(C[6a]C[6a]F)2{1|P<4>,2|C<3>,2|F<1>,3|H<1>,4|C<4>}	C[6a](C[6a]B[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|P<4>,2|C<4>,2|F<1>}	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|F<1>,5|C<3>,5|H<1>}	123.4333	1.986	4	123.4333	3.945	4	123.4333	3.945	4	123.4333	3.945	4	122.5459	2.138	16	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C){2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<2>,2|F<1>,3|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO){2|F<1>,8|C<3>}	122.5200	2.588	2	122.5200	6.698	2	122.5200	6.698	2	122.2352	2.992	4	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(B[5]C[5]2O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP){2|H<1>,8|C<3>}	121.9505	1.398	2	121.9505	1.954	2	121.9505	1.954	2	122.2352	2.992	4	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:3:4:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(B[5]C[5]2P)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	121.9535	5.346	2	121.9535	28.584	2	121.9535	28.584	2	121.9535	28.584	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2H){1|C<3>,1|P<4>,2|C<4>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H){2|F<1>,3|C<3>,3|H<1>}	123.6930	0.623	4	123.6930	0.388	4	123.6930	0.388	4	123.6930	0.388	4	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:4:4:2:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2O){1|C<3>,1|P<4>,2|C<4>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<3>,1|O<2>,2|C<4>,2|F<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	123.7190	0.824	2	123.7190	0.680	2	123.7190	0.680	2	123.7190	0.680	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:4:4:3:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-4:C[5]-4:S-3:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2S)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2S){1|C<3>,1|P<4>,2|C<4>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<3>,1|S<3>,2|C<4>,2|F<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	123.4265	0.011	2	123.4265	0.000	2	123.4265	0.000	2	123.4265	0.000	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	3:3:4:	3:3:1:	4:3:3:2:	C[6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[5]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<2>,1|C<4>,2|C<3>,2|F<1>}	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,2|F<1>,6|C<3>}	123.4380	5.291	2	123.4380	27.990	2	123.4380	27.990	2	123.4380	27.990	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:2:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	C[6a](B[5]C[5,6a]O[5]F)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	C[6a](B[5]C[5,6a]O[5]F)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,2|C<3>,3|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	123.1965	0.599	2	123.1965	0.359	2	123.1965	0.359	2	123.2130	3.365	6	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:2:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a](B[5]C[5,6a]O[5]H)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](B[5]C[5,6a]O[5]H)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	123.2212	2.343	4	123.2212	5.488	4	123.2212	5.488	4	123.2130	3.365	6	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:2:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5])	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|O<2>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5]){1|O<1>,4|F<1>,6|C<3>}	122.6917	4.799	4	122.6917	23.032	4	122.6874	10.625	12	122.3627	7.584	20	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:2:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(O[5]N[5])2	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]F)2{1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|O<2>}	B[5](C[6a]C[6a]2)2(O[5]N[5])2{1|C<4>,4|C<3>,4|F<1>}	122.6852	2.613	8	122.6852	6.826	8	122.6874	10.625	12	122.3627	7.584	20	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:2:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,6|H<1>}	121.7895	2.345	4	121.8755	3.435	8	121.8755	3.435	8	122.3627	7.584	20	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:2:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	C[6a](B[5]C[6a]O[5]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,4|H<1>}	121.9615	1.579	4	121.8755	3.435	8	121.8755	3.435	8	122.3627	7.584	20	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:Cl-1:	C[6a](B[5]C[5,6a]N[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl)	C[6a](B[5]C[5,6a]N[5]Cl)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl){4|C<3>,4|H<1>}	121.4720	3.637	2	121.4720	13.230	2	121.4720	13.230	2	121.5209	3.860	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:Cl-1:	C[6a](B[5]C[5,6a]N[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](B[5]C[5,6a]N[5]Cl)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){4|H<1>,6|C<3>}	121.6680	0.546	2	121.6680	0.298	2	121.6680	0.298	2	121.5209	3.860	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	C[6a](B[5]N[5,6]C[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](B[5]N[5,6]C[5]Cl)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){1|C<4>,2|H<1>,7|C<3>}	121.3993	2.062	6	121.4964	4.125	8	121.4964	4.125	8	121.5209	3.860	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	C[6a](B[5]N[5,6]C[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](B[5]N[5,6]C[5]Cl)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){3|H<1>,7|C<3>}	121.7875	2.717	2	121.4964	4.125	8	121.4964	4.125	8	121.5209	3.860	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:Cl[5]-2:	C[6a](B[5]C[5,6a]C[6a]Cl[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5])	C[6a](B[5]C[5,6a]C[6a]Cl[5])(C[6a]C[6a]F)2{1|B<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|Cl<2>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5]){5|F<1>,8|C<3>}	123.1306	2.330	8	123.1306	5.431	8	123.1306	5.431	8	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]F)2{1|P<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5]){1|H<1>,2|C<4>,4|F<1>,6|C<3>}	123.4163	4.282	4	123.4163	18.331	4	123.4163	18.331	4	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,2|F<1>,3|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5]){4|F<1>,7|C<3>}	123.1534	2.992	8	123.1534	8.950	8	123.2571	8.299	24	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,2|F<1>,3|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,4|F<1>,5|C<3>}	123.7177	2.418	8	123.3089	8.540	16	123.2571	8.299	24	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,2|F<1>,3|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	122.9001	3.474	8	123.3089	8.540	16	123.2571	8.299	24	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]N[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](B[5]N[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	122.8787	5.861	4	122.8487	24.601	8	122.8487	24.601	8	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]N[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](B[5]N[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<2>,4|F<1>,6|C<3>}	122.8187	4.801	4	122.8487	24.601	8	122.8487	24.601	8	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5,5]-3:C[6a]-3:C[6a]-3:S[5]-2:	C[6a](B[5]N[5,5]C[6a]S[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(S[5]C[5])	C[6a](B[5]N[5,5]C[6a]S[5])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(S[5]C[5]){1|C<4>,1|N<2>,4|F<1>,6|C<3>}	122.9045	4.527	4	122.9045	20.493	4	122.9045	20.493	4	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a](B[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP)	C[6a](B[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP){4|H<1>,6|C<3>}	122.0695	1.353	4	122.0695	1.830	4	122.0695	1.830	4	123.0686	10.371	52	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	122.6790	0.000	1	122.6790	0.000	1	121.7557	2.676	3	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)2{9|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]B[5])(H){1|N<3>,2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	121.2940	2.018	2	121.2940	4.073	2	121.7557	2.676	3	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(N[5]P[5]O)	C[6a](B[5]C[5,6]C[6a]N[5])(C[6a]C[6a]F)2{1|O<2>,1|P<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(N[5]P[5]O){1|C<4>,1|H<1>,4|F<1>,7|C<3>}	123.5037	3.864	4	123.5037	14.931	4	123.5037	14.931	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,2|C<4>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|O<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<4>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	118.6630	0.000	1	120.5125	6.841	2	120.5125	6.841	2	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F){2|C<4>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,1|O<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<3>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	122.3620	0.000	1	120.5125	6.841	2	120.5125	6.841	2	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,9|C<3>}	123.7730	3.269	4	123.6965	11.497	8	123.6965	11.497	8	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	123.6200	4.016	4	123.6965	11.497	8	123.6965	11.497	8	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|F<1>,6|C<3>}	123.2548	3.320	4	123.2548	11.025	4	123.2865	5.885	12	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]O)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]O){2|H<1>,4|F<1>,6|C<3>}	123.1295	2.682	4	123.1295	7.193	4	123.2865	5.885	12	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]P[5]O)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2{1|O<2>,1|P<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]P[5]O){1|H<1>,4|F<1>,8|C<3>}	123.4753	1.811	4	123.4753	3.280	4	123.2865	5.885	12	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C)	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]F)2{1|B<4>,1|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C){5|F<1>,8|C<3>}	123.4177	1.103	7	123.4177	1.216	7	123.4177	1.216	7	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2{1|N<3>,5|F<1>,8|C<3>}	123.1365	1.379	4	123.1365	1.901	4	123.1365	1.901	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	123.8858	4.283	4	123.8858	18.342	4	123.8858	18.342	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	123.0290	3.525	16	123.0290	12.423	16	122.9282	9.787	32	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	122.7063	3.810	4	122.7063	14.516	4	122.9282	9.787	32	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	122.8677	2.578	12	122.8677	6.646	12	122.9282	9.787	32	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C)	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|S<2>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C){1|C<4>,4|F<1>,6|C<3>}	123.6283	3.727	4	123.6283	13.892	4	123.6283	13.892	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C)	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<3>,2|F<1>,3|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C){3|H<1>,4|F<1>,6|C<3>}	123.2175	4.282	4	123.2175	18.339	4	123.2175	18.339	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	123.5906	3.988	8	123.5906	15.908	8	123.4220	11.443	24	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|C<4>,4|F<1>,6|C<3>}	123.4137	3.438	8	123.4137	11.819	8	123.4220	11.443	24	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C)	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|H<1>,1|S<3>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C){4|F<1>,6|C<3>}	123.2615	3.132	8	123.2615	9.808	8	123.4220	11.443	24	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<1>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O){1|Si<4>,4|F<1>,6|C<3>}	123.4740	2.186	8	123.3236	4.286	16	123.2389	5.115	20	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<2>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O){1|Si<4>,4|F<1>,6|C<3>}	123.1731	2.087	8	123.3236	4.286	16	123.2389	5.115	20	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	122.9002	3.283	4	122.9002	10.778	4	123.2389	5.115	20	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5,5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]C)	C[6a](B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]C){1|C<4>,1|S<1>,4|F<1>,6|C<3>}	123.0570	3.382	4	123.0570	11.435	4	123.0570	11.435	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]N[5,5a]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(N[5]P[5]H)	C[6a](B[5]N[5,5a]C[6a]N[5])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|N<3>}	B[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(N[5]P[5]H){1|N<2>,4|F<1>,7|C<3>}	123.2343	2.368	4	123.2343	5.610	4	123.2343	5.610	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	120.1710	0.413	2	120.1710	0.171	2	117.6175	8.912	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	115.0640	0.696	2	115.0640	0.484	2	117.6175	8.912	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a](B[5]C[5,6a]2N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[5]C[5,6a]2N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	116.2433	1.627	3	116.2433	2.646	3	116.2433	2.646	3	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	120.1840	0.000	1	120.1840	0.000	1	121.8189	6.188	11	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	122.0380	3.821	2	121.9824	6.549	10	121.8189	6.188	11	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	121.9685	2.517	8	121.9824	6.549	10	121.8189	6.188	11	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6a](B[5]C[5]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[5]C[5]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	C[6a](B[5]C[5]2N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	C[6a](B[5]C[5]2N[6])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	122.0740	6.924	2	122.0740	47.942	2	122.0740	47.942	2	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]Cu)	C[6a](B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]Cu){2|C<4>,4|H<1>,6|C<3>}	121.6016	2.542	7	121.6016	6.460	7	121.6016	6.460	7	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:C-3:	C[6a](B[5]N[5,5]N[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]C[5,5,6]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](B[5]N[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	B[5](N[5,5]C[5,5,6]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]C){1|C<4>,1|S<1>,1|S<2>,2|H<1>,6|C<3>}	121.5505	2.163	4	121.5505	4.678	4	121.5505	4.678	4	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe)	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|Fe<6>,1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe){1|N<3>,3|H<1>,8|C<3>}	121.5860	2.902	2	121.6675	2.866	4	121.5496	3.697	28	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe)	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|Fe<6>,1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Fe){1|N<3>,4|H<1>,7|C<3>}	121.7490	0.386	2	121.6675	2.866	4	121.5496	3.697	28	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mg)	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|Mg<6>,1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mg){1|N<3>,4|H<1>,7|C<3>}	121.9082	2.339	4	121.9082	5.469	4	121.5496	3.697	28	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mn)	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|Mn<6>,1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Mn){1|N<3>,4|H<1>,7|C<3>}	121.5590	2.020	4	121.5590	4.079	4	121.5496	3.697	28	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru)	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|Ru<8>,1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru){1|N<3>,4|H<1>,7|C<3>}	121.4986	1.896	12	121.4281	4.117	16	121.5496	3.697	28	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O[5]-3:	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru)	C[6a](B[5]N[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|Ru<9>,1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|H<1>,2|N<3>}	B[5](N[5,5]N[5,5]C[5])(N[5]C[5]N[5])(C[6a]C[6a]2)(O[5]B[5]Ru){1|N<3>,4|H<1>,7|C<3>}	121.2165	2.706	4	121.4281	4.117	16	121.5496	3.697	28	122.5515	8.846	196	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	C[6a](B[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC)	C[6a](B[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]F)2{2|F<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC){3|H<1>,4|F<1>,6|C<3>}	123.3545	4.508	4	123.3545	20.325	4	123.3545	20.325	4	122.9795	12.624	30	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH){1|H<1>,2|C<4>,4|F<1>,7|C<3>}	123.6660	5.708	4	123.7117	21.694	12	123.7117	21.694	12	122.9795	12.624	30	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](N[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]HH){1|H<1>,3|C<4>,4|F<1>,6|C<3>}	123.7345	4.486	8	123.7117	21.694	12	123.7117	21.694	12	122.9795	12.624	30	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	122.5086	1.167	8	122.5086	1.361	8	122.5086	1.361	8	122.9795	12.624	30	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:C-4:	C[6a](B[5]N[5,6]C[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](B[5]N[5,6]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	122.1315	0.603	2	122.1315	0.364	2	122.1315	0.364	2	122.9795	12.624	30	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]P[5]HH){3|C<4>,4|H<1>,6|C<3>}	121.7740	3.678	4	121.7740	13.529	4	121.7740	13.529	4	122.9795	12.624	30	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[6a](B[5]C[5,6a]C[5]Cl)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[6a](B[5]C[5,6a]C[5]Cl)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|Cl<1>,1|C<4>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){2|C<4>,3|F<1>,4|C<3>}	123.3695	4.126	2	123.3695	17.024	2	123.3695	17.024	2	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:F-1:	C[6a](B[5]C[5,6a]C[5]F)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F)	C[6a](B[5]C[5,6a]C[5]F)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,3|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F){2|C<4>,3|F<1>,4|C<3>}	122.9610	1.823	2	122.9610	3.323	2	122.9610	3.323	2	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a](B[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H)	C[6a](B[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H){2|C<4>,3|F<1>,4|C<3>}	123.2590	0.711	2	123.2590	0.506	2	123.2590	0.506	2	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[6a](B[5]C[5,6a]C[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[6a](B[5]C[5,6a]C[5]Cl)(C[6a]C[6a]H)2{1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){1|F<1>,2|C<4>,2|H<1>,4|C<3>}	121.7920	3.065	2	121.7920	9.392	2	121.7920	9.392	2	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:P[5]-4:Cl-1:	C[6a](B[5]N[5,6]P[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl)	C[6a](B[5]N[5,6]P[5]Cl)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl){1|C<4>,4|C<3>,4|H<1>}	121.3595	0.200	2	121.5252	0.360	4	121.5252	0.360	4	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:P[5]-4:Cl-1:	C[6a](B[5]N[5,6]P[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl)	C[6a](B[5]N[5,6]P[5]Cl)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl){1|Ga<4>,1|C<4>,3|H<1>,4|C<3>}	121.6910	0.964	2	121.5252	0.360	4	121.5252	0.360	4	122.1888	3.869	13	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a](B[5]C[5,6a]C[5]O)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[6a](B[5]C[5,6a]C[5]O)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	123.5516	2.733	10	123.5516	7.471	10	123.5207	9.576	12	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a](B[5]C[5,6a]C[5]O)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS)	C[6a](B[5]C[5,6a]C[5]O)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS){2|C<4>,3|F<1>,4|C<3>}	123.3660	6.167	2	123.3660	38.037	2	123.5207	9.576	12	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>,4|F<1>}	123.7175	3.264	4	123.7175	10.651	4	123.2393	13.350	36	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5]){1|H<1>,4|F<1>,7|C<3>}	123.1022	4.212	8	123.1022	17.743	8	123.2393	13.350	36	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5]){1|B<4>,4|C<3>,4|F<1>}	123.1065	1.774	4	123.1065	3.146	4	123.2393	13.350	36	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,4|F<1>}	122.8487	2.916	4	122.8487	8.504	4	123.2393	13.350	36	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,1|S<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5]){1|O<2>,4|C<3>,4|F<1>}	123.1639	5.482	8	123.1639	30.047	8	123.2393	13.350	36	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	123.4745	3.014	8	123.4745	9.082	8	123.2393	13.350	36	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:P[5]-4:O[5]-2:	C[6a](B[5]C[6a]O[5]P[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(P[5]C[5]CC)(O[5]C[5])	C[6a](B[5]C[6a]O[5]P[5])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,1|P<4>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(P[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>,4|F<1>}	123.0725	3.193	4	123.0725	10.197	4	123.0725	10.197	4	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	C[6a](B[5]C[5a]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	C[6a](B[5]C[5a]N[5]O[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|N<4>,1|O<2>,2|C<3>,2|H<1>}	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	122.3900	2.172	2	122.3900	4.719	2	122.3900	4.719	2	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5])	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5]){2|C<4>,4|H<1>,5|C<3>}	122.0357	2.743	4	122.0587	2.545	12	122.0587	2.545	12	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5])	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(N[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	122.0701	0.880	8	122.0587	2.545	12	122.0587	2.545	12	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	122.1055	1.948	4	121.9801	1.729	8	121.9801	1.729	8	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.8547	0.443	4	121.9801	1.729	8	121.9801	1.729	8	122.9254	9.214	74	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]H)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]H){2|H<1>,4|F<1>,6|C<3>}	123.6552	3.334	4	123.6552	11.113	4	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N){1|C<4>,1|H<1>,4|F<1>,6|C<3>}	123.2615	4.240	4	123.2147	16.776	8	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]N){2|H<1>,4|F<1>,6|C<3>}	123.1680	4.600	4	123.2147	16.776	8	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<1>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|C<4>,1|H<1>,4|F<1>,6|C<3>}	123.3088	5.440	4	123.4382	18.895	20	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<1>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|H<1>,4|F<1>,7|C<3>}	123.1807	4.242	4	123.4382	18.895	20	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<2>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|C<4>,1|H<1>,4|F<1>,6|C<3>}	123.4965	5.220	4	123.4382	18.895	20	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<2>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){1|H<1>,4|F<1>,7|C<3>}	123.4655	3.836	4	123.4382	18.895	20	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|O<2>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	123.7395	5.466	4	123.4382	18.895	20	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]Si)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|Si<4>,1|C<4>,1|P<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]Si){1|H<1>,3|C<4>,4|C<3>,4|F<1>}	123.9288	6.023	4	123.9288	36.272	4	123.4672	17.718	36	123.4672	17.718	36	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	123.8342	4.236	4	123.6871	19.435	8	123.6871	19.435	8	123.5801	17.390	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|P<4>,3|H<1>,4|C<3>,4|F<1>}	123.5400	5.229	4	123.6871	19.435	8	123.6871	19.435	8	123.5801	17.390	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:4:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:P[5]-4:	C[6a](B[5]C[6a]C[5]P[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]C[5]CC)	C[6a](B[5]C[6a]C[5]P[5])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|P<4>,2|C<3>,2|F<1>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]C[5]CC){4|C<3>,4|F<1>,4|H<1>}	123.3660	4.281	4	123.3660	18.324	4	123.3660	18.324	4	123.5801	17.390	12	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6a]-3:Cl-1:	C[6a](B[5]C[5,5]N[5,6]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,5]C[5,5]C[5]Fe)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(Cl)	C[6a](B[5]C[5,5]N[5,6]Cl)(C[6a]C[6a]H)2{1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	B[5](C[5,5]C[5,5]C[5]Fe)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(Cl){2|C<4>,4|C<3>,4|H<1>}	121.6140	3.587	4	121.6140	12.865	4	121.6140	12.865	4	121.6140	12.865	4	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5])	C[6a](B[5]C[6a]C[5]O[5])(C[6a]C[6a]F)2{1|B<3>,1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|F<1>,6|C<3>}	123.2057	5.456	4	123.2057	29.763	4	123.2057	29.763	4	123.2057	29.763	4	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,5,6]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]P[5]O)	C[6a](B[5]C[5,5,6]C[6a]N[5])(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,3|C<4>,4|F<1>,6|C<3>}	123.4105	3.620	4	123.4105	13.101	4	123.4105	13.101	4	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](B[5]C[5,5]C[6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](B[5]C[5,5]C[6a]C[5])(C[6a]C[6a]F)2{1|H<1>,2|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	123.4130	3.333	8	123.4130	11.111	8	123.4130	11.111	8	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]C)	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]C){1|P<4>,2|C<4>,2|H<1>,4|F<1>,6|C<3>}	123.7445	3.083	4	123.7445	9.505	4	123.9097	8.899	11	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)2(O[5]B[5]C)	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|B<4>,1|H<1>,1|P<4>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)2(O[5]B[5]C){1|H<1>,2|C<4>,4|F<1>,8|C<3>}	124.0225	3.544	4	124.0225	12.562	4	123.9097	8.899	11	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li)	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|Li<3>,1|H<1>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|F<2>,1|O<3>,2|C<3>}	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li){1|F<2>,3|F<1>,8|C<3>}	126.2880	0.000	1	123.9797	11.305	3	123.9097	8.899	11	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li)	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|Li<3>,1|H<1>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li){1|F<2>,3|F<1>,8|C<3>}	122.8255	3.823	2	123.9797	11.305	3	123.9097	8.899	11	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:O[3,5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,5]O[3,5]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,5]C[5]H)(O[3,5]B[3,5]C[3])(C[6a]C[6a]2)2	C[6a](B[5]C[5,5]O[3,5]C[6a])(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[5](C[5,5]C[5,5]C[5]H)(O[3,5]B[3,5]C[3])(C[6a]C[6a]2)2{1|P<4>,2|C<4>,3|H<1>,4|F<1>,6|C<3>}	123.2562	5.630	4	123.2562	31.694	4	123.2562	31.694	4	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6]C[6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]P[5]O)	C[6a](B[5]C[5,6]C[6a]N[5])(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]P[5]O){2|C<4>,3|H<1>,4|F<1>,6|C<3>}	123.7191	3.206	16	123.7191	10.279	16	123.7191	10.279	16	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	123.1492	4.208	4	123.3192	16.764	8	123.3192	16.764	8	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|Si<4>,1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[5]C[5]SiH)(C[6a]C[6a]2)2(N[5]P[5]O){2|H<1>,4|F<1>,6|C<3>}	123.4892	4.618	4	123.3192	16.764	8	123.3192	16.764	8	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]P[5])(C[6a]C[6a]2)2	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|P<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[5](C[5]C[6a]C[5]H)(N[5]C[6a]P[5])(C[6a]C[6a]2)2{1|H<1>,2|C<4>,4|F<1>,9|C<3>}	123.7415	3.905	4	123.7415	15.248	4	123.7415	15.248	4	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](B[5]C[6a]C[5]P[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](B[5]C[6a]C[5]P[5])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O){4|F<1>,4|H<1>,6|C<3>}	123.4075	2.910	20	123.4075	8.470	20	123.4075	8.470	20	123.5487	10.578	75	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[5,6]C[6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](B[5]C[5,6]C[6a]C[5])(C[6a]C[6a]F)2{1|C<4>,1|O<2>,1|P<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	B[5](C[5,6]P[5,6]O[6]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<3>,1|C<4>,2|H<1>,4|F<1>,5|C<3>}	123.9338	4.113	4	123.9338	16.915	4	123.9338	16.915	4	123.4829	15.165	16	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH)	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|S<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	B[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(C[5]S[5]HH){4|F<1>,8|C<3>}	122.9670	1.022	4	122.9670	1.045	4	122.9670	1.045	4	123.4829	15.165	16	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<4>,2|C<3>,2|F<1>}	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	123.4620	6.683	4	123.4620	44.669	4	123.4620	44.669	4	123.4829	15.165	16	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](B[5]C[6a]C[5]P[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](B[5]C[6a]C[5]P[5])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|P<4>,2|C<3>,2|F<1>}	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	123.5690	3.544	4	123.5690	12.559	4	123.5690	12.559	4	123.4829	15.165	16	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:4:3:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	C[6a](B[5]C[5]N[5]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	C[6a](B[5]C[5]N[5]Cl)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	122.0390	0.960	2	122.0390	0.922	2	122.0390	0.922	2	122.0390	0.922	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:4:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,5]C[6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](B[5]C[5,5]C[6a]C[5])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	B[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<3>,4|F<1>,7|C<3>}	123.7655	5.293	8	123.7655	28.019	8	123.7655	28.019	8	123.7655	28.019	8	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:1:	4:4:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-4:C[6a]-3:C-4:	C[6a](B[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](B[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	122.6540	0.898	2	122.6540	0.806	2	122.6540	0.806	2	122.6540	0.806	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:2:	4:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-2:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(FLi)	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li)	C[6a](B[5]C[5,5]C[6a]O[5])(C[6a]C[6a]F)2{1|Li<3>,1|H<1>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]F)(FLi){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)2(O[5]C[5]Li){1|F<2>,3|F<1>,8|C<3>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]B[5])(B[5]C[5,6a]2)(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F){2|C<4>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(B[5]C[5,6a]2)(C[6a]C[6a]F){1|O<3>,2|F<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<3>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	125.5182	8.740	6	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	124.1540	0.659	2	124.1540	0.434	2	124.1540	0.434	2	125.5182	8.740	6	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a](B[5]C[5,6a]2N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[5]C[5,6a]2N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<3>,3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	127.7260	2.208	3	127.7260	4.874	3	127.7260	4.874	3	125.5182	8.740	6	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,5|C<4>,6|C<3>}	121.7818	4.169	4	121.6780	12.469	16	121.8468	11.245	24	121.8468	11.245	24	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	121.6434	3.501	12	121.6780	12.469	16	121.8468	11.245	24	121.8468	11.245	24	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:2:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5])	C[6a](B[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5]){1|H<1>,6|C<3>,6|C<4>}	122.1844	3.167	8	122.1844	10.033	8	121.8468	11.245	24	121.8468	11.245	24	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,5a]N[5,6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,5a]N[5,6]C[6a])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,4|C<4>,7|C<3>}	121.8612	5.535	4	121.8612	30.635	4	121.8612	30.635	4	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	121.9553	2.499	4	121.9461	7.046	8	121.9461	7.046	8	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	121.9370	3.193	4	121.9461	7.046	8	121.9461	7.046	8	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,4|C<4>,7|C<3>}	121.8098	3.044	8	121.8193	10.086	40	121.8193	10.086	40	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,5|C<4>,6|C<3>}	121.8874	3.203	8	121.8193	10.086	40	121.8193	10.086	40	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	121.7998	3.340	24	121.8193	10.086	40	121.8193	10.086	40	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,4|C<4>,7|C<3>}	121.9380	3.556	4	121.9380	12.648	4	121.9380	12.648	4	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	121.7740	2.607	6	121.9032	8.430	28	121.9176	8.908	32	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	121.9384	3.035	22	121.9032	8.430	28	121.9176	8.908	32	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]N[5,6]C[6a])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|C<4>,8|C<3>}	122.0183	4.020	4	122.0183	16.163	4	121.9176	8.908	32	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	121.7792	3.350	28	121.7792	11.222	28	121.7792	11.222	28	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2	C[6a](B[5]C[6a]C[5]2)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2{1|B<4>,1|N<3>,1|N<4>,4|C<3>,8|C<4>}	122.6225	2.111	4	122.6225	4.455	4	122.6225	4.455	4	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6a](B[5]C[5]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3)	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[5]C[5]2N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CF3){1|N<3>,2|H<1>,3|C<3>}	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	124.1390	0.000	1	124.1390	0.000	1	124.1390	0.000	1	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H){2|H<1>,4|C<3>,6|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	130.9060	1.072	2	130.9060	1.149	2	130.9060	1.149	2	122.0419	10.932	123	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C[6a]-3:N[5]-4:I-1:	C[6a](B[5]B[5]N[5]I)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I)	C[6a](B[5]B[5]N[5]I)(C[6a]C[6a]C)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|I<1>,1|N<4>,2|C<4>}	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I){2|C<4>,4|C<3>,4|H<1>}	121.9715	7.579	2	121.9715	57.448	2	121.9715	57.448	2	122.3336	10.666	9	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	124.6340	0.000	1	124.6340	0.000	1	122.5256	3.063	5	122.3336	10.666	9	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	122.1760	2.236	2	121.9985	2.232	4	122.5256	3.063	5	122.3336	10.666	9	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](B[5]C[5,5]C[5]H)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	121.8210	1.253	2	121.9985	2.232	4	122.5256	3.063	5	122.3336	10.666	9	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:3:4:1:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	C[6a](B[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	C[6a](B[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	122.2155	3.893	2	122.2155	15.153	2	122.2155	15.153	2	122.3336	10.666	9	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:4:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	122.6012	5.165	4	122.6012	26.682	4	122.6012	26.682	4	122.2134	13.309	28	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:4:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,7|C<3>}	122.5175	2.284	4	122.5175	5.217	4	122.2412	4.128	12	122.2134	13.309	28	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:4:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2	C[6a](B[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]C)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<4>,3|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2{11|C<3>,1|H<1>,4|C<4>}	122.1030	2.046	8	122.1030	4.186	8	122.2412	4.128	12	122.2134	13.309	28	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:4:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a](B[5]C[5,5]N[5,5]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]Fe)(C[6a]C[6a]2)2	C[6a](B[5]C[5,5]N[5,5]C[6a])(C[6a]C[6a]C)2{1|Fe<10>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	B[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]Fe)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,6|C<3>,6|C<4>}	122.0562	4.602	12	122.0562	21.181	12	122.0562	21.181	12	122.2134	13.309	28	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	3:3:4:	3:4:3:4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	C[6a](B[5]C[5,6a]P[5]N)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	C[6a](B[5]C[5,6a]P[5]N)(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<4>,1|P<4>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	121.6000	0.919	2	121.6000	0.845	2	121.6000	0.845	2	121.6000	0.845	2	122.7141	10.556	772	122.6916	10.104	831
643	643	786	0:SP2_SP2_SP3	C[6a]	C[6a]	B[5]	4:3:3:	4:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F)	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,2|C<4>,2|F<1>,7|C<3>}	C[6a](B[5]C[5,6a]2O[5])(C[6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,2|C<4>,2|F<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<4>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	124.3780	0.000	1	124.3780	0.000	1	124.3780	0.000	1	124.3780	0.000	1	122.7141	10.556	772	122.6916	10.104	831
643	643	786	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	B[5,6]	4:3:3:	3:3:2:	3:3:2:2:	B[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:O[5]-2:O[5]-2:	C[6,6a](B[5,6]N[6,6]O[5]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2	C[6,6a](B[5,6]N[6,6]O[5]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]B[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2{1|O<2>,2|H<1>,4|C<3>,4|C<4>}	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Cl	3:2:1:	3:4:3:	3:	C[6,6,6a]-3:N[6a]-2:Cl-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6,6,6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl){1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	Cl(C[6a]C[6,6,6a]N[6a])	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	123.2961	3.332	13	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	Cl(C[6a]C[6,6,6a]C[6a])	124.5902	0.184	8	124.5902	0.034	8	124.0562	1.655	10	124.0562	1.655	10	123.2961	3.332	13	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl){1|Cl<1>,1|Si<4>,1|H<1>,5|C<3>}	Cl(C[6a]C[6,6,6a]C[6a])	120.6450	0.000	1	120.6450	0.000	1	124.0562	1.655	10	124.0562	1.655	10	123.2961	3.332	13	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl){1|Cl<1>,2|H<1>,5|C<3>}	Cl(C[6a]C[6,6,6a]C[6a])	123.1950	0.000	1	123.1950	0.000	1	124.0562	1.655	10	124.0562	1.655	10	123.2961	3.332	13	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	Cl(C[6a]C[6,6,6a]C[6a])	120.6830	0.105	2	120.6830	0.011	2	120.6830	0.011	2	120.6830	0.011	2	123.2961	3.332	13	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	Cl(C[6a]C[6,6a]N[6a])	121.0820	0.000	1	121.3995	0.202	2	121.3995	0.202	2	122.3332	1.029	8	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	Cl(C[6a]C[6,6a]N[6a])	121.7170	0.000	1	121.3995	0.202	2	121.3995	0.202	2	122.3332	1.029	8	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]N[6a])	122.5170	0.000	1	123.0060	0.190	5	123.0060	0.190	5	122.3332	1.029	8	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6,6a]N[6a])	123.1283	0.391	4	123.0060	0.190	5	123.0060	0.190	5	122.3332	1.029	8	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	Cl(C[6a]C[6,6a]N[6a])	120.8370	0.000	1	120.8370	0.000	1	120.8370	0.000	1	122.3332	1.029	8	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	Cl(C[6a]C[6,6a]N[6a])	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:2:1:	3:4:3:	3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	Cl(C[6a]C[6,6a]N[6a])	120.0390	0.431	2	120.0390	0.186	2	120.0390	0.186	2	120.0390	0.186	2	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	Cl(C[6a]C[6,6a]C[6a])	119.7840	0.000	1	119.7840	0.000	1	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[5,6]){2|Cl<1>,1|C<3>,1|C<4>,2|S<2>}	Cl(C[6a]C[6,6a]C[6a])	118.8296	0.576	8	118.8296	0.332	8	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	Cl(C[6a]C[6,6a]C[6a])	118.4880	0.000	1	118.4995	0.000	2	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	Cl(C[6a]C[6,6a]C[6a])	118.5110	0.000	1	118.4995	0.000	2	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|B<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.0180	0.469	3	119.0180	0.220	3	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4260	1.022	2	119.1590	0.232	9	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.2090	0.000	1	119.1590	0.232	9	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.5930	0.000	1	119.1590	0.232	9	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.0470	0.000	1	119.1590	0.232	9	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.0403	0.206	3	119.1590	0.232	9	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.6090	0.000	1	119.1590	0.232	9	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ga<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.4310	0.000	1	118.4310	0.000	1	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4710	0.000	1	119.4710	0.000	1	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|O<2>}	Cl(C[6a]C[6,6a]C[6a])	120.6320	0.000	1	120.6320	0.000	1	119.0553	0.373	26	119.0553	0.373	26	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.7800	0.000	1	119.7800	0.000	1	119.7800	0.000	1	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(Cl)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	Cl(C[6a]C[6,6a]C[6a])	123.9420	0.000	1	123.9420	0.000	1	123.9420	0.000	1	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H)(Cl){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6,6a]C[6a])	122.3900	0.000	1	122.3900	0.000	1	122.7365	0.240	2	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(Cl){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|Cl<1>,1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	Cl(C[6a]C[6,6a]C[6a])	123.0830	0.000	1	123.0830	0.000	1	122.7365	0.240	2	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	122.9860	0.000	1	122.9860	0.000	1	123.7058	1.123	6	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	123.1570	0.311	3	123.8498	1.249	5	123.7058	1.123	6	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	125.6640	0.000	1	123.8498	1.249	5	123.7058	1.123	6	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	124.1140	0.000	1	123.8498	1.249	5	123.7058	1.123	6	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	117.8700	0.000	1	117.8700	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	Cl(C[6a]C[6,6a]C[6a])	120.0810	0.000	1	120.0810	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	122.5650	0.000	1	122.5650	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	122.7570	0.000	1	122.7570	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.7580	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.6200	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Fe<5>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.0735	0.314	6	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.6727	0.114	3	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Re<6>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.1860	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4695	0.131	2	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Zn<4>,1|O<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4340	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.7025	0.329	4	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4087	1.103	3	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.6220	0.959	3	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Os<6>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.6360	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4070	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.7510	0.000	1	119.1819	0.327	28	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	121.5840	0.000	1	121.5840	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	121.7430	0.000	1	121.7430	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	Cl(C[6a]C[6,6a]C[6a])	122.7230	0.000	1	122.7230	0.000	1	119.6119	1.587	35	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.4170	0.000	1	119.4170	0.000	1	119.0115	0.329	2	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.6060	0.000	1	118.6060	0.000	1	119.0115	0.329	2	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl){2|C<3>,2|C<4>,5|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O){1|N<2>,1|O<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	123.7075	0.650	2	123.7075	0.422	2	123.7075	0.422	2	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6,6a])	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	120.3574	4.002	53	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a,6a]-3:Cl-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a,6a]-3:Cl-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	Cl(C[6a]C[6,6a]C[6a])	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	Cl(C[6a]C[6,6a]C[6a])	117.8200	0.000	1	117.8200	0.000	1	119.1256	0.726	5	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.7940	0.000	1	118.7940	0.000	1	119.1256	0.726	5	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.5465	0.317	2	119.5465	0.101	2	119.1256	0.726	5	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.9210	0.000	1	119.9210	0.000	1	119.1256	0.726	5	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO){2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a,6a]C[6,6a])	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	118.7091	4.026	10	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl)	Cl(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl){1|C<4>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl){10|C<3>,1|S<2>}	Cl(C[6a]C[5a,6a]C[6,6a])	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	Cl(C[6a]C[6,6a]C[6a])	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl){2|Cl<1>,3|H<1>,4|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.3490	0.000	1	119.3490	0.000	1	120.9430	1.244	13	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6,6a]C[6a])	119.3150	0.000	1	119.3150	0.000	1	120.9430	1.244	13	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	121.3010	0.382	8	121.3010	0.146	8	120.9430	1.244	13	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	118.8340	0.000	1	118.8340	0.000	1	120.9430	1.244	13	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	122.1765	0.452	2	122.1765	0.204	2	120.9430	1.244	13	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	120.7940	0.000	1	120.7940	0.000	1	120.9190	0.031	2	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	121.0440	0.000	1	121.0440	0.000	1	120.9190	0.031	2	121.0470	2.181	17	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]B[5a,6]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5a,6]C[6,6a])(C[6a]C[6a]H)(Cl){1|B<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	Cl(C[6a]C[6,6a]C[6a])	120.8940	0.221	2	120.8940	0.049	2	120.8940	0.049	2	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(Cl)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	120.8150	0.016	2	120.8150	0.000	2	120.8150	0.000	2	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(Cl)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	Cl(C[6a]C[6,6a]C[6a])	120.2355	0.022	2	120.2355	0.000	2	119.7470	0.716	3	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	Cl(C[6a]C[6,6a]C[6a])	118.7700	0.000	1	118.7700	0.000	1	119.7470	0.716	3	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){2|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	Cl(C[6a]C[6,6a]C[6a])	119.8575	0.312	2	119.8575	0.097	2	120.0213	0.037	7	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	Cl(C[6a]C[6,6a]C[6a])	120.1025	0.125	4	120.0868	0.013	5	120.0213	0.037	7	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,4|H<1>,5|C<3>}	Cl(C[6a]C[6,6a]C[6a])	120.0240	0.000	1	120.0868	0.013	5	120.0213	0.037	7	120.2006	0.328	14	120.1434	3.162	131	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){1|N<2>,5|C<3>}	Cl(C[6a]C[6a,6a]N[6a])	121.6550	0.000	1	121.6550	0.000	1	122.8022	3.251	5	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2{4|C<3>}	Cl(C[6a]C[6a,6a]N[6a])	120.3490	0.000	1	123.0890	3.786	4	122.8022	3.251	5	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2{4|C<3>}	Cl(C[6a]C[6a,6a]N[6a])	124.0023	0.821	3	123.0890	3.786	4	122.8022	3.251	5	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(Cl)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]N[6a])	116.9480	0.000	1	116.9480	0.000	1	118.7668	2.613	8	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]N[6a])	118.1680	0.275	4	118.1680	0.075	4	118.7668	2.613	8	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]2)	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	Cl(C[6a]C[6a,6a]N[6a])	122.2860	0.000	1	122.2860	0.000	1	118.7668	2.613	8	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]N[6a])	119.7050	0.000	1	119.1140	0.699	2	118.7668	2.613	8	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]N[6a])	118.5230	0.000	1	119.1140	0.699	2	118.7668	2.613	8	120.3188	6.784	13	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.5240	0.460	4	117.5240	0.212	4	118.0969	0.545	8	118.2299	0.636	9	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.6697	0.431	4	118.6697	0.185	4	118.0969	0.545	8	118.2299	0.636	9	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]Cl){1|Cl<1>,1|O<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.2940	0.000	1	119.2940	0.000	1	119.2940	0.000	1	118.2299	0.636	9	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a])	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a]){5|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	114.9150	0.076	2	114.9150	0.006	2	116.3993	6.613	3	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	119.3680	0.000	1	119.3680	0.000	1	116.3993	6.613	3	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a])	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Cl){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]2)	117.9030	0.014	2	117.9030	0.000	2	117.9030	0.000	2	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Cl){5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a,6a]2)	118.7965	0.227	2	118.7965	0.052	2	118.7965	0.052	2	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.8660	0.030	2	117.8660	0.001	2	117.8660	0.001	2	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.9460	0.000	1	119.0260	0.013	2	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1060	0.000	1	119.0260	0.013	2	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.2045	0.409	2	119.0123	0.195	3	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.6280	0.000	1	119.0123	0.195	3	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.5900	0.000	1	119.5040	1.276	3	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	120.5880	0.000	1	119.5040	1.276	3	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	Cl(C[6a]C[6a,6a]C[6a])	118.3340	0.000	1	119.5040	1.276	3	119.2001	0.485	8	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(O[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(O[6a]C[6a]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.8250	0.000	1	118.8250	0.000	1	119.2862	0.186	4	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(O[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.2850	0.362	2	119.4400	0.138	3	119.2862	0.186	4	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(O[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.7500	0.000	1	119.4400	0.138	3	119.2862	0.186	4	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.8025	0.315	2	115.8025	0.099	2	115.8025	0.099	2	118.2904	2.373	23	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]C)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	121.1550	0.000	1	121.1550	0.000	1	119.5085	5.422	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6,6a])	117.8620	0.000	1	117.8620	0.000	1	119.5085	5.422	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(Cl){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[5,6a])	116.5940	0.211	2	116.5940	0.044	2	117.3480	0.777	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[5,6a])	118.1790	0.000	1	118.1020	0.012	2	117.3480	0.777	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Cl){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a,6a]C[5,6a])	118.0250	0.000	1	118.1020	0.012	2	117.3480	0.777	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6,6a])	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]2)	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Cl){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]2)	120.4155	0.026	2	120.4155	0.001	2	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|Cl<1>,1|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]2)	118.3235	0.821	2	118.3235	0.674	2	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|Cl<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl){3|Cl<1>,3|C<3>}	Cl(C[6a]C[6a,6a]2)	119.2952	1.782	4	119.2952	3.177	4	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]2)	118.5690	0.422	8	118.4335	0.103	17	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]2)	118.3512	0.127	4	118.4335	0.103	17	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]2)	118.3090	0.129	4	118.4335	0.103	17	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Cl){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]2)	118.1770	0.000	1	118.4335	0.103	17	118.7212	0.860	25	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]C)(Cl)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]C)(Cl){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|C<2>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.0645	0.202	4	121.0645	0.041	4	121.4952	0.892	36	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(Cl)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(Cl){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.7122	0.536	12	121.7122	0.288	12	121.4952	0.892	36	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(Cl){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|C<2>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	123.0010	0.788	2	123.0010	0.620	2	121.4952	0.892	36	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(Cl){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.3673	0.700	6	122.3673	0.490	6	121.4952	0.892	36	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.7348	0.827	12	120.7348	0.684	12	121.4952	0.892	36	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.8470	0.000	1	119.8470	0.000	1	122.6910	6.070	3	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(C[6a]N[6a]O)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	124.1130	0.089	2	124.1130	0.008	2	122.6910	6.070	3	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]S)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|S<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]S){2|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.5910	0.000	1	121.5910	0.000	1	122.3890	0.373	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|S<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	123.0720	0.000	1	122.7245	0.242	2	122.3890	0.373	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.3770	0.000	1	122.7245	0.242	2	122.3890	0.373	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	122.5160	0.000	1	122.5160	0.000	1	122.3890	0.373	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.3780	0.000	1	120.3780	0.000	1	121.3850	2.028	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]Cl)2{2|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.3920	0.000	1	122.3920	0.000	1	121.3850	2.028	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6,6a]C[6,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl){1|N<2>,2|H<1>,2|O<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl){5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]Cl){2|Cl<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.9321	0.549	7	119.9321	0.302	7	121.5593	3.008	20	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]Cl){2|Cl<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.0903	0.768	3	120.0903	0.589	3	121.5593	3.008	20	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	123.2955	0.666	8	123.2955	0.444	8	121.5593	3.008	20	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|H<1>,7|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.5130	0.321	2	122.5130	0.103	2	121.5593	3.008	20	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Cl){3|Cl<1>,5|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.0180	1.251	3	121.0180	1.564	3	122.4647	3.566	6	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	123.9113	1.036	3	123.9113	1.073	3	122.4647	3.566	6	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6a]C[6a])(Cl){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	114.9560	0.000	1	114.9560	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(Cl)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.2140	0.000	1	119.2140	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.3215	0.363	2	119.3215	0.132	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)2{2|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.9525	1.102	2	120.9525	1.215	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2{1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.0405	0.261	2	122.0405	0.068	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.5134	0.154	5	119.5134	0.024	5	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.1510	0.000	1	118.0840	2.277	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.0170	0.000	1	118.0840	2.277	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.0760	0.956	2	120.0760	0.914	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	117.0800	0.000	1	118.3523	1.394	3	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.4130	0.000	1	118.3523	1.394	3	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.5640	0.000	1	118.3523	1.394	3	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	116.9620	0.000	1	116.9620	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)2{2|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	124.4185	0.070	2	124.4185	0.005	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2{4|Cl<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.0200	0.428	4	122.0200	0.183	4	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.5913	0.214	3	118.5913	0.046	3	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.7582	0.781	6	119.7477	0.441	8	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.7165	0.186	2	119.7477	0.441	8	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]Cl){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.8838	0.113	5	118.8838	0.013	5	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.6590	0.000	1	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.6105	0.210	2	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	120.0065	3.231	2	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1060	0.000	1	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1225	0.409	2	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.9020	0.000	1	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.3680	0.000	1	119.1514	1.450	10	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]S)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]S){2|C<3>,4|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	121.3910	0.178	4	121.3910	0.032	4	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]Se)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	121.2800	0.404	4	120.8333	0.594	6	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]Se)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Se<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.9400	0.297	2	120.8333	0.594	6	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]C){2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	123.4710	0.000	1	123.4710	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1800	0.192	4	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.5930	0.000	1	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	120.7240	0.052	2	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.4374	0.401	5	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.9240	0.065	2	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.7200	0.000	1	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1640	0.000	1	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.3370	0.000	1	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.5965	0.145	2	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.4880	0.106	2	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.9160	0.000	1	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1610	0.461	2	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.5860	1.032	2	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	118.9960	0.000	1	119.4664	0.322	27	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]O)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]O){2|C<3>,4|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	122.2920	0.000	1	122.2920	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,5|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	122.2370	0.000	1	122.2370	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.9290	0.000	1	118.9290	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	123.3160	0.000	1	123.3160	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2{1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	124.1020	0.017	2	124.1020	0.000	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(Cl)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.5080	0.000	1	119.5080	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.5840	0.000	1	120.5840	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	Cl(C[6a]C[6a,6a]C[6a])	119.4240	0.000	1	119.4240	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	120.5005	1.064	2	120.0360	1.214	3	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.1070	0.000	1	120.0360	1.214	3	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.6640	0.000	1	120.6640	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(Cl)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(Cl){1|B<3>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a,6a]C[6a])	117.1305	0.497	2	117.1305	0.247	2	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]Cl){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a,6a]C[6a])	118.3220	0.000	1	118.3220	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a,6a]C[6a])	121.5150	0.000	1	121.5150	0.000	1	119.9102	2.678	108	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	119.4945	0.296	2	119.4945	0.088	2	119.4945	0.088	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Cl){1|C<4>,1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	125.8460	0.000	1	125.8460	0.000	1	123.5815	10.256	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl){1|F<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	121.3170	0.000	1	121.3170	0.000	1	123.5815	10.256	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(C[6a]C[6a]Cl){3|Cl<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.8422	0.594	4	121.8422	0.352	4	121.8422	0.352	4	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.3190	0.421	2	120.3190	0.178	2	120.3190	0.178	2	120.3622	3.409	224	120.1116	3.812	269	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl){1|C<3>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	118.2130	0.129	2	118.2130	0.017	2	118.9247	1.528	3	118.8726	1.188	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.3480	0.000	1	120.3480	0.000	1	118.9247	1.528	3	118.8726	1.188	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	119.7100	0.000	1	118.7945	1.676	2	118.7945	1.676	2	118.8726	1.188	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.8790	0.000	1	118.7945	1.676	2	118.7945	1.676	2	118.8726	1.188	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.4410	0.000	1	120.4410	0.000	1	120.3890	0.050	3	120.3890	0.050	3	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.3630	0.311	2	120.3630	0.097	2	120.3890	0.050	3	120.3890	0.050	3	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5110	0.000	1	119.5110	0.000	1	119.0915	0.352	2	119.0915	0.352	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	2:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6720	0.000	1	118.6720	0.000	1	119.0915	0.352	2	119.0915	0.352	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.6160	0.322	2	119.6160	0.104	2	120.1370	0.409	4	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.6580	0.190	2	120.6580	0.036	2	120.1370	0.409	4	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	118.2210	0.000	1	119.0990	0.637	3	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5380	0.344	2	119.0990	0.637	3	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H){1|C<3>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	116.9740	0.000	1	116.9740	0.000	1	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	119.6880	0.000	1	119.0347	0.954	3	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.9120	0.000	1	119.0347	0.954	3	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	119.5040	0.000	1	119.0347	0.954	3	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.2340	0.000	1	117.2340	0.000	1	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	116.6834	0.534	5	116.6834	0.285	5	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.8790	0.004	2	117.6292	0.189	5	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.4627	0.523	3	117.6292	0.189	5	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	116.8680	0.000	1	116.8680	0.000	1	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H){1|N<2>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	118.4493	0.183	4	118.4493	0.033	4	117.8625	1.121	23	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl){3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O){1|N<2>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	114.3265	0.035	2	114.3265	0.001	2	114.3265	0.001	2	117.9323	2.552	29	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:2:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN){4|C<3>}	Cl(C[6a]C[6a]N[6a])	121.7170	0.000	1	121.7170	0.000	1	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO){4|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5708	0.494	6	119.5708	0.244	6	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(COO){4|C<3>}	Cl(C[6a]C[6a]N[6a])	119.0690	0.000	1	119.0690	0.000	1	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	116.8550	0.000	1	116.8550	0.000	1	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.2332	0.324	6	118.2332	0.105	6	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.2023	0.226	6	118.2023	0.051	6	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8989	0.348	8	118.8989	0.121	8	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.1423	1.170	4	120.1423	1.368	4	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.1310	0.000	1	117.1310	0.000	1	118.8991	1.112	34	118.8991	1.112	34	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CBrHH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CBrHH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4830	0.000	1	119.4830	0.000	1	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCCH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCCH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1850	0.000	1	119.1850	0.000	1	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6292	0.274	4	118.6292	0.075	4	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.9258	0.159	5	118.9258	0.025	5	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.5870	0.000	1	117.5870	0.000	1	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.0915	0.459	2	118.0915	0.211	2	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.2045	0.271	2	118.2045	0.073	2	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.5128	0.401	17	117.5128	0.161	17	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4700	0.286	2	119.4700	0.082	2	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1210	0.000	1	119.1210	0.000	1	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]HH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]HH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.4920	0.000	1	117.4920	0.000	1	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH){2|C<3>}	Cl(C[6a]C[6a]N[6a])	117.4617	0.329	4	117.4617	0.109	4	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	2:3:1:	3:3:4:	3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(CH3)	Cl(C[6a]C[6a]N[6a])	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(CH3){1|N<2>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	118.7430	0.000	1	118.7430	0.000	1	118.0918	0.599	42	118.0918	0.599	42	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	2:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	121.1185	0.002	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	2:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	121.1185	0.002	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|S<2>}	Cl(C[6a]C[6a]N[6a])	120.3950	0.000	1	121.4945	2.418	2	121.4945	2.418	2	119.7481	1.262	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	122.5940	0.000	1	121.4945	2.418	2	121.4945	2.418	2	119.7481	1.262	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	Cl(C[6a]C[6a]N[6a])	118.9840	0.000	1	119.3988	0.461	10	119.3988	0.461	10	119.7481	1.262	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	Cl(C[6a]C[6a]N[6a])	119.3200	1.280	3	119.3988	0.461	10	119.3988	0.461	10	119.7481	1.262	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.5073	0.348	6	119.3988	0.461	10	119.3988	0.461	10	119.7481	1.262	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	119.8170	0.280	7	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.9510	0.403	5	119.9510	0.163	5	119.9510	0.163	5	119.8170	0.280	7	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a])	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	119.8170	0.280	7	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl){1|N<2>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	121.3372	1.774	5	121.3372	3.147	5	121.3372	3.147	5	120.2568	3.272	9	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.2540	0.000	1	118.9062	0.152	4	118.9062	0.152	4	120.2568	3.272	9	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:2:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){2|C<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	118.7903	0.385	3	118.9062	0.152	4	118.9062	0.152	4	120.2568	3.272	9	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])(Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	Cl(C[6a]C[6a]N[6a])	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6800	0.000	1	118.6800	0.000	1	118.6677	0.141	4	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H){1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6637	0.459	3	118.6637	0.211	3	118.6677	0.141	4	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5413	0.332	6	119.5413	0.110	6	119.5413	0.110	6	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H){1|S<2>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	120.5060	0.000	1	120.0035	0.505	2	120.0035	0.505	2	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl){1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5010	0.000	1	120.0035	0.505	2	120.0035	0.505	2	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	120.1040	0.668	2	120.3473	0.400	3	120.4886	0.271	5	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	120.8340	0.000	1	120.3473	0.400	3	120.4886	0.271	5	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.9600	0.000	1	120.9600	0.000	1	120.4886	0.271	5	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br){1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.4410	0.000	1	120.4410	0.000	1	120.4886	0.271	5	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl){1|C<3>,1|O<2>}	Cl(C[6a]C[6a]N[6a])	121.3640	0.000	1	121.3640	0.000	1	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[6a]C[6a]N[6a])	121.0310	0.884	2	121.0310	0.781	2	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.3697	0.403	10	120.3697	0.162	10	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	120.1245	0.619	2	120.1245	0.383	2	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.5295	0.619	2	120.4795	0.630	6	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|B<3>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.6270	0.000	2	120.4795	0.630	6	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	121.1760	0.000	1	120.4795	0.630	6	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	121.3880	0.000	1	120.4795	0.630	6	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.8090	1.990	4	120.6894	3.042	5	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.2110	0.000	1	120.6894	3.042	5	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.4750	0.000	1	119.4750	0.000	1	120.4878	0.805	27	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(F){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.3330	0.000	1	120.3330	0.000	1	120.3330	0.000	1	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.3505	0.142	2	118.3505	0.020	2	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)(H){1|Fe<10>,1|C<3>,2|C<4>}	Cl(C[6a]C[6a]N[6a])	119.3780	0.000	1	119.3780	0.000	1	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|Br<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6920	0.000	1	118.8118	2.166	15	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|Br<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	118.4210	0.582	11	118.8118	2.166	15	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	123.8180	0.000	1	118.8118	2.166	15	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|I<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	118.5180	0.106	2	118.8118	2.166	15	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]B)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]B)(H){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	119.5560	0.000	1	119.5560	0.000	1	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	119.1405	1.189	2	119.2117	0.447	6	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.8990	0.000	1	119.2117	0.447	6	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.2255	0.107	2	119.2117	0.447	6	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.6390	0.000	1	119.2117	0.447	6	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	120.0770	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.9300	0.868	4	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.9473	0.576	3	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	118.2045	0.344	2	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.8980	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.7520	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.4470	0.447	2	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	118.9475	0.567	63	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.1860	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	118.5830	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|S<4>}	Cl(C[6a]C[6a]N[6a])	118.9745	0.350	2	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.9370	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.9959	0.527	16	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4910	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	120.3210	0.164	2	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.9194	0.723	5	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1411	0.504	7	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.4530	0.000	1	118.9741	0.343	114	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.8610	0.194	2	118.8610	0.038	2	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	117.7510	0.000	1	117.7510	0.000	1	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.6836	0.383	8	119.7472	0.164	12	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.8743	0.474	4	119.7472	0.164	12	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.5140	0.000	1	120.5140	0.000	1	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8460	0.000	1	118.9058	0.429	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4007	1.228	3	118.9058	0.429	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6828	0.361	9	118.9058	0.429	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|S<2>,2|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4880	0.000	1	118.9058	0.429	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.2302	0.632	5	119.6100	2.098	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.2478	2.361	5	119.6100	2.098	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4940	0.000	1	119.6100	2.098	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.2187	0.278	3	119.6100	2.098	14	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]Pd)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|Pd<4>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]Pd)(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.6670	0.488	2	119.6670	0.238	2	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.5980	0.144	2	118.6805	0.069	20	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.5613	0.416	6	118.6805	0.069	20	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.7408	0.154	10	118.6805	0.069	20	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|N<2>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8195	0.192	2	118.6805	0.069	20	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]N[6a])	117.8320	0.000	1	118.3437	0.403	7	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]N[6a])	118.4290	0.650	6	118.3437	0.403	7	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	120.0380	0.221	2	120.0380	0.049	2	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	120.1783	0.030	3	119.8073	0.248	25	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<2>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	119.8030	0.000	1	119.8073	0.248	25	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|N<2>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	119.7967	0.524	19	119.8073	0.248	25	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){2|N<2>}	Cl(C[6a]C[6a]N[6a])	119.6470	0.000	1	119.8073	0.248	25	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,1|O<1>}	Cl(C[6a]C[6a]N[6a])	119.0600	0.000	1	119.8073	0.248	25	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H){1|N<3>,1|O<1>}	Cl(C[6a]C[6a]N[6a])	118.4290	0.000	1	118.5150	0.015	2	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H){1|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	118.6010	0.000	1	118.5150	0.015	2	119.0952	0.653	241	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I){1|I<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]N[6a])	121.1910	0.000	1	121.1910	0.000	1	120.5197	0.307	7	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	120.4078	0.513	6	120.4078	0.263	6	120.5197	0.307	7	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(O)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(O){1|N<3>,1|O<2>}	Cl(C[6a]C[6a]N[6a])	117.8310	0.000	1	117.8310	0.000	1	117.8310	0.000	1	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|Pd<4>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	Cl(C[6a]C[6a]N[6a])	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:Cl-1:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]N[6a])	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	119.2764	0.919	297	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC){1|Br<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	118.4725	0.887	2	118.4725	0.788	2	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<2>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	119.6615	0.687	2	119.6615	0.471	2	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.4040	0.000	1	119.4040	0.000	1	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.2050	0.049	2	119.8057	0.480	3	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.0070	0.000	1	119.8057	0.480	3	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1070	0.000	1	119.1070	0.000	1	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.0045	0.121	2	119.0045	0.015	2	119.2914	0.485	11	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.0260	0.000	1	119.0260	0.000	1	118.7440	0.251	3	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.1650	0.000	1	118.1650	0.000	1	118.7440	0.251	3	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.0410	0.000	1	119.0410	0.000	1	118.7440	0.251	3	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.3007	0.567	15	119.3007	0.322	15	119.3066	0.246	29	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.6408	0.361	6	119.4253	0.216	9	119.3066	0.246	29	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.9943	0.345	3	119.4253	0.216	9	119.3066	0.246	29	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1510	0.000	1	119.1510	0.000	1	119.3066	0.246	29	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(OC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)2(OC){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8605	0.306	2	118.8605	0.094	2	119.3066	0.246	29	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(OC[6a])	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)2(OC[6a]){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.3405	0.042	2	119.3405	0.002	2	119.3066	0.246	29	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC[6a])	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.7200	0.000	1	118.7200	0.000	1	118.9175	0.078	2	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC){1|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	119.1150	0.000	1	119.1150	0.000	1	118.9175	0.078	2	119.2481	0.305	45	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]N[6a])	121.8060	0.332	2	121.8060	0.110	2	121.8060	0.110	2	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]N[6a])	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	Cl(C[6a]C[6a]N[6a])	117.6455	0.541	2	117.6455	0.293	2	117.6455	0.293	2	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(Cl)	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	121.7160	0.000	1	121.7160	0.000	1	121.7160	0.000	1	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl){2|N<3>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1030	0.000	1	119.1030	0.000	1	119.1030	0.000	1	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	120.6470	0.000	1	120.6470	0.000	1	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	120.3060	0.000	1	120.3060	0.000	1	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1580	0.000	1	119.1580	0.000	1	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.7264	0.683	27	119.7264	0.467	27	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.3340	0.000	1	119.3340	0.000	1	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.6325	0.368	2	121.0351	0.875	8	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	121.0486	1.132	5	121.0351	0.875	8	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>}	Cl(C[6a]C[6a]N[6a])	121.7730	0.000	1	121.0351	0.875	8	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.6830	0.000	1	120.4749	0.456	14	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,2|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.6240	0.161	2	120.4749	0.456	14	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.5197	0.721	11	120.4749	0.456	14	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]N[6a])	119.5620	0.360	3	119.5620	0.130	3	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]S[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(CHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]S[6a])(Cl){1|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)2(CHH){1|S<2>}	Cl(C[6a]C[6a]N[6a])	116.7450	0.512	2	116.7450	0.262	2	119.9856	1.086	58	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	117.6030	0.000	1	117.6030	0.000	1	118.8687	1.204	3	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5015	0.070	2	119.5015	0.005	2	118.8687	1.204	3	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	120.4520	0.000	1	120.6925	0.116	2	119.7211	0.641	8	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	120.9330	0.000	1	120.6925	0.116	2	119.7211	0.641	8	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)2	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)2{1|Br<1>,2|H<1>,5|C<3>}	Cl(C[6a]C[6a]N[6a])	119.0305	0.296	2	119.0305	0.088	2	119.7211	0.641	8	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[6a]Cl)2(C[6a]C[6a]2){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5807	0.674	4	119.5807	0.455	4	119.7211	0.641	8	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	117.7600	0.000	1	117.7600	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.0230	0.000	1	119.0230	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCuC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCuC){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.6460	0.000	1	119.6460	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	118.6930	0.143	2	118.6930	0.020	2	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.2730	0.000	1	119.2730	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	122.3575	0.977	2	122.6120	0.692	5	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	122.5530	0.000	1	122.6120	0.692	5	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	122.8960	1.233	2	122.6120	0.692	5	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	Cl(C[6a]C[6a]N[6a])	123.1782	0.635	10	123.1782	0.403	10	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8790	0.000	1	118.8790	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.4180	0.000	1	118.4180	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	Cl(C[6a]C[6a]N[6a])	123.0340	0.000	1	121.1620	7.009	2	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.2900	0.000	1	121.1620	7.009	2	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4610	0.000	1	119.4610	0.000	1	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(NCC)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)2(NCC){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.8205	0.258	2	119.8205	0.067	2	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	118.0585	0.149	2	118.0585	0.022	2	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	121.0985	0.337	2	121.0985	0.114	2	121.0927	4.431	32	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	Cl(C[6a]C[6a]N[6a])	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	Cl(C[6a]C[6a]N[6a])	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl)	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	120.2925	2.424	111	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>}	Cl(C[6a]C[6a]N[6a])	120.2120	0.428	3	120.2362	0.094	5	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){2|C<3>}	Cl(C[6a]C[6a]N[6a])	120.2725	0.078	2	120.2362	0.094	5	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	119.8260	0.000	1	119.8260	0.000	1	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCl3)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCl3){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	122.1780	0.000	1	122.1780	0.000	1	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3){1|C<3>}	Cl(C[6a]C[6a]N[6a])	120.1787	0.587	4	120.1787	0.345	4	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.3730	0.000	1	119.2668	0.448	4	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	Cl(C[6a]C[6a]N[6a])	119.5647	0.374	3	119.2668	0.448	4	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)2(CH3)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)2(CH3){1|C<3>}	Cl(C[6a]C[6a]N[6a])	118.8215	0.415	2	118.8215	0.172	2	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	Cl(C[6a]C[6a]N[6a])	119.4180	0.000	1	119.4180	0.000	1	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	Cl(C[6a]C[6a]N[6a])	118.7260	0.000	1	118.7260	0.000	1	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(Cl){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<2>}	Cl(C[6a]C[6a]N[6a])	120.5950	0.000	1	120.5950	0.000	1	119.8675	0.790	20	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]N[6a])	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(SiC3)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(SiC3){1|Br<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	119.6890	0.102	2	119.6890	0.010	2	119.6890	0.010	2	119.7461	0.783	24	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:4:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	117.2770	0.000	1	117.2770	0.000	1	117.7212	0.137	4	118.0410	0.399	6	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:4:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	118.1520	0.000	1	117.8693	0.074	3	117.7212	0.137	4	118.0410	0.399	6	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:4:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]N[6a])	117.7280	0.165	2	117.8693	0.074	3	117.7212	0.137	4	118.0410	0.399	6	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:4:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl){1|C<4>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	118.2580	0.000	1	118.2580	0.000	1	118.2580	0.000	1	118.0410	0.399	6	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	3:4:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	119.1030	0.000	1	119.1030	0.000	1	119.1030	0.000	1	118.0410	0.399	6	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	4:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]N[6a])	119.0630	0.000	1	119.2673	0.044	3	119.2673	0.044	3	118.8058	0.422	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	4:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]N[6a])	119.3695	0.162	2	119.2673	0.044	3	119.2673	0.044	3	118.8058	0.422	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	4:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl){1|H<1>,5|C<3>}	Cl(C[6a]C[6a]N[6a])	118.1280	0.000	1	118.1280	0.000	1	118.1135	0.000	2	118.8058	0.422	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:2:1:	4:3:3:	3:	C[6a]-3:N[6a]-2:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]N[6a])	118.0990	0.000	1	118.0990	0.000	1	118.1135	0.000	2	118.8058	0.422	5	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1970	0.447	2	120.1970	0.200	2	121.6160	2.754	4	119.9143	3.215	10	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	123.0350	0.086	2	123.0350	0.007	2	121.6160	2.754	4	119.9143	3.215	10	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7798	0.524	6	118.7798	0.274	6	118.7798	0.274	6	119.9143	3.215	10	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(Cl)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(Cl){4|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.2020	0.000	1	121.2020	0.000	1	121.2625	0.007	2	121.2625	0.007	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Cl){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.3230	0.000	1	121.3230	0.000	1	121.2625	0.007	2	121.2625	0.007	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	2:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]O[6a]C)(Cl)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]O[6a]C)(Cl){2|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	119.2300	0.168	2	119.2300	0.028	2	119.2300	0.028	2	119.2300	0.028	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	117.7010	0.064	2	117.7010	0.004	2	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.6720	0.000	1	121.6720	0.000	1	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	121.9028	0.384	10	121.9028	0.147	10	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	121.9005	0.927	2	121.9005	0.859	2	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.0060	0.000	2	121.7852	0.207	6	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.0100	0.000	1	121.7852	0.207	6	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.9020	0.226	2	121.7852	0.207	6	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8850	0.000	1	121.7852	0.207	6	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	122.2130	2.626	4	122.1132	5.222	5	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	121.7140	0.000	1	122.1132	5.222	5	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	121.2160	0.000	1	121.2160	0.000	1	121.5702	2.203	27	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	Cl(C[6a]C[6a]2)	122.4020	0.000	1	121.5493	0.358	8	121.5493	0.358	8	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.3145	0.477	6	121.5493	0.358	8	121.5493	0.358	8	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	122.1050	0.000	1	121.5493	0.358	8	121.5493	0.358	8	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.0690	0.000	1	119.8095	0.135	2	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5500	0.000	1	119.8095	0.135	2	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3367	0.448	4	119.4879	0.166	8	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.8450	0.099	2	119.4879	0.166	8	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4330	0.443	2	119.4879	0.166	8	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6560	0.240	2	117.8464	2.013	12	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8990	0.000	1	117.8464	2.013	12	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.5783	0.437	3	117.8464	2.013	12	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7018	1.349	6	117.8464	2.013	12	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0620	0.263	2	118.9900	0.050	3	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8460	0.000	1	118.9900	0.050	3	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.1940	0.000	1	118.5220	0.215	2	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8500	0.000	1	118.5220	0.215	2	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4185	0.510	2	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.6003	0.572	3	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7497	0.556	24	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	119.8170	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8700	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3072	0.953	6	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.0880	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0530	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.6140	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3310	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0620	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5900	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.9220	0.000	1	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0724	0.478	10	119.7693	0.365	54	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(Cl){1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	121.2813	1.064	3	121.2813	1.132	3	119.4652	1.137	84	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.3990	0.416	2	121.3990	0.173	2	121.3990	0.173	2	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(O[6a]C[6a])(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(O[6a]C[6a])(O){1|Cl<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	117.4400	0.000	1	117.4400	0.000	1	117.4400	0.000	1	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:1:	3:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H)	Cl(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Cl(C[6a]N[5a,6a]C[6a])	125.3340	0.000	1	125.3340	0.000	1	125.3340	0.000	1	120.1325	2.454	124	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(O[6a]C[6a])(OC)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8300	0.000	1	119.8300	0.000	1	119.8300	0.000	1	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8570	0.482	2	120.8570	0.233	2	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0660	0.000	1	120.9327	0.196	6	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.9707	0.540	4	120.9327	0.196	6	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6470	0.000	1	120.9327	0.196	6	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.6320	0.000	1	121.6320	0.000	1	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|C<3>,1|F<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.0170	0.000	1	121.0170	0.000	1	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:	C[6a](C[6a]N[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O)2(Cl){1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	Cl(C[6a]C[6a]2)	121.7200	0.139	4	121.7200	0.019	4	121.2028	0.249	14	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7700	1.232	2	118.7700	1.517	2	118.7700	1.517	2	120.7680	1.035	18	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	123.0373	1.198	4	123.0373	1.435	4	122.0768	2.856	9	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0150	0.000	1	120.0150	0.000	1	122.0768	2.856	9	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	122.3230	1.553	2	122.3230	2.411	2	122.0768	2.856	9	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	122.5970	0.000	1	120.9405	5.488	2	122.0768	2.856	9	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2840	0.000	1	120.9405	5.488	2	122.0768	2.856	9	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8690	0.000	1	120.8690	0.000	1	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6330	0.000	1	119.6330	0.000	1	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0180	0.000	1	119.5887	0.162	9	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5510	0.000	1	119.5887	0.162	9	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.3040	0.000	1	119.5887	0.162	9	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7375	0.389	6	119.5887	0.162	9	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5400	0.000	1	118.5400	0.000	1	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	123.1210	0.000	1	123.1210	0.000	1	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl){1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|N<2>,2|C<4>}	Cl(C[6a]C[6a]2)	118.6207	0.387	10	118.6207	0.150	10	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N)2(Cl){1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.8918	1.625	4	120.8918	2.640	4	119.5643	1.613	27	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	Cl(C[6a]C[6a]2)	121.8190	0.000	1	121.6480	0.058	2	121.6480	0.058	2	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	Cl(C[6a]C[6a]2)	121.4770	0.000	1	121.6480	0.058	2	121.6480	0.058	2	120.2690	3.012	38	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.9100	0.000	1	120.5890	0.922	2	121.5962	0.379	12	121.5962	0.379	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.2680	0.000	1	120.5890	0.922	2	121.5962	0.379	12	121.5962	0.379	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl){1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	121.7977	0.300	10	121.7977	0.090	10	121.5962	0.379	12	121.5962	0.379	12	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	B[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]B[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]B[6a,6a]C[6a])	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]B[6a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]B[6a,6a]C[6a])	116.2245	0.212	4	116.2245	0.045	4	116.2245	0.045	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6,6a]C[6a])	121.2025	0.230	2	121.2025	0.053	2	121.2025	0.053	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6,6a]H)(Cl)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6,6a]H)(Cl){1|Se<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]Cl)(H){1|Se<2>,1|N<3>,1|O<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.8930	0.642	4	119.8930	0.412	4	119.8930	0.412	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl){3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	117.3510	0.000	1	117.3510	0.000	1	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	117.7290	0.187	4	117.7290	0.035	4	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	119.9780	0.000	1	119.9780	0.000	1	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	119.7310	0.000	1	119.7310	0.000	1	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.3537	0.335	6	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	120.9420	0.000	1	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.8260	0.000	1	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	119.2297	1.038	4	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	120.9700	0.000	1	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.7826	0.329	35	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	120.4480	0.000	1	120.6045	0.351	49	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.2040	0.000	1	120.2040	0.000	1	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]Cl)(Cl){1|Cl<1>,1|S<2>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	121.2290	0.000	1	121.2290	0.000	1	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	120.7150	0.622	4	120.8183	0.454	6	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5,6a]C[6a])	121.0250	0.990	2	120.8183	0.454	6	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	122.5730	0.000	1	122.2605	0.195	2	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[5,6a]C[6a])	121.9480	0.000	1	122.2605	0.195	2	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	122.7055	0.703	24	122.2019	0.727	108	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<6>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	122.1038	0.828	79	122.2019	0.727	108	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|Ge<5>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.8827	0.094	3	122.2019	0.727	108	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|In<6>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	120.5130	0.245	2	122.2019	0.727	108	121.5303	1.588	174	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6,6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ga<5>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6,6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.9280	0.000	1	118.9280	0.000	1	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.2340	0.000	1	118.2340	0.000	1	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.7750	0.000	1	119.9425	2.726	2	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	121.1100	0.000	1	119.9425	2.726	2	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.1150	0.000	1	118.0770	3.127	4	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	115.9390	0.000	1	118.0770	3.127	4	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.6980	0.000	1	118.0770	3.127	4	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	117.5560	0.000	1	118.0770	3.127	4	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.5275	0.279	2	119.5275	0.078	2	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.1520	0.663	2	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.8360	0.000	1	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.1610	0.000	1	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.7140	0.743	3	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.0895	0.258	2	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<1>,1|S<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.9637	0.534	3	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	117.1300	0.000	1	118.5879	0.628	13	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.5280	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.5640	0.796	2	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.8460	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.9010	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.7050	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.7690	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.1580	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	120.2910	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	117.9427	0.402	3	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.4060	0.365	2	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.2990	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.4090	0.583	3	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	118.7400	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[5,6a]C[6a])	117.7300	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	119.1930	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	118.8280	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	120.4765	0.008	2	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.8950	0.100	2	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.1890	0.000	1	119.4783	0.824	27	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Si)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Si)(H){1|C<2>,1|C<3>,1|C<4>}	Cl(C[6a]C[5,6a]C[6a])	120.2390	0.000	1	120.2390	0.000	1	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	119.5070	0.000	1	118.5732	4.425	5	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	121.8570	0.000	1	118.5732	4.425	5	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	117.1673	0.240	3	118.5732	4.425	5	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	122.3432	0.766	4	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5,6a]C[6a])	122.9908	0.777	4	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[5,6a]C[6a])	120.0730	0.000	1	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	117.6820	0.000	1	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	121.0993	0.325	3	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	121.1480	0.000	1	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	117.7725	0.519	6	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.0240	0.000	1	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	121.8505	0.062	2	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[5,6a]C[6a])	121.5320	0.000	1	120.6845	4.433	24	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.3010	0.000	1	121.3745	0.011	2	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.4480	0.000	1	121.3745	0.011	2	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Cl(C[6a]C[5,6a]C[6a])	119.6100	0.000	1	119.6100	0.000	1	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[5,6a]C[6a])	120.5790	0.000	1	120.5790	0.000	1	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,2|N<3>}	Cl(C[6a]C[5,6a]C[6a])	119.0955	0.019	2	119.0955	0.000	2	119.6120	2.683	86	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Br)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Br){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[5a,6a]C[6a])	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl){3|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	120.7600	0.000	1	120.7600	0.000	1	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.6223	0.471	15	121.6223	0.222	15	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	120.4470	0.000	1	121.7776	0.495	8	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.9303	0.799	3	121.7776	0.495	8	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[5a,6a]C[6a])	121.9958	0.229	4	121.7776	0.495	8	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[5a,6a]C[6a])	122.2703	0.414	4	122.2703	0.171	4	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	Cl(C[6a]C[5a,6a]C[6a])	122.4400	0.000	1	122.4400	0.000	1	121.7530	0.353	29	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	118.2185	0.237	2	118.2185	0.056	2	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	118.6125	0.547	4	118.8843	1.286	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	117.9040	0.000	1	118.8843	1.286	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	120.9520	0.000	1	118.8843	1.286	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	120.5430	0.000	1	120.5430	0.000	1	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){1|C<4>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	119.5550	0.000	1	120.5313	0.768	3	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.0195	0.326	2	120.5313	0.768	3	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	120.7440	0.427	2	119.7610	2.990	3	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	117.7950	0.000	1	119.7610	2.990	3	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	117.2340	0.000	1	119.3350	8.828	2	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.4360	0.000	1	119.3350	8.828	2	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	119.3910	0.000	1	119.6030	2.600	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	116.5990	0.000	1	119.6030	2.600	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[5a,6a]C[6a])	120.1057	0.357	3	119.6030	2.600	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.3110	0.000	1	119.6030	2.600	6	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	Cl(C[6a]C[5a,6a]C[6a])	122.3455	0.771	2	122.3455	0.595	2	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Cl){1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[5a,6a]C[6a])	122.3590	0.000	1	122.3590	0.000	1	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[5a,6a]C[6a])	121.1570	0.000	1	121.1570	0.000	1	119.8392	2.715	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6,6a]C[6a])	119.1835	0.255	2	115.1022	5.371	12	115.1022	5.371	12	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6,6,6a]C[6a])	118.1510	0.000	1	115.1022	5.371	12	115.1022	5.371	12	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6,6,6a]C[6a])	113.6771	0.132	8	115.1022	5.371	12	115.1022	5.371	12	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6,6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6,6,6a]C[6a])	115.2910	0.000	1	115.1022	5.371	12	115.1022	5.371	12	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(Cl)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	115.2300	0.000	1	115.2300	0.000	1	117.0447	7.297	3	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6,6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6,6a]H)(Cl){1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6,6a]Cl)(H){1|O<2>,4|C<3>}	Cl(C[6a]C[6,6a]C[6a])	115.7550	0.000	1	115.7550	0.000	1	117.0447	7.297	3	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6,6a]C[6a])	120.1490	0.000	1	120.1490	0.000	1	117.0447	7.297	3	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|Os<6>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	116.3720	0.000	1	116.3720	0.000	1	120.5128	2.130	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6,6a]C[6a])	119.1860	0.639	2	119.1860	0.409	2	120.5128	2.130	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6,6a]C[6a])	119.6610	0.000	1	120.1785	0.536	2	120.5128	2.130	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	120.6960	0.000	1	120.1785	0.536	2	120.5128	2.130	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	121.2591	0.518	10	121.2591	0.268	10	120.5128	2.130	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.1485	0.076	2	118.1485	0.006	2	118.3245	0.049	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.5005	0.131	2	118.5005	0.017	2	118.3245	0.049	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]B[5a,6]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5a,6]C[6,6a])(C[6a]C[6a]H)(Cl){1|B<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	115.2055	0.538	2	115.2055	0.290	2	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6,6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6,6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.9080	0.000	1	119.9080	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[5,6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	119.3530	0.000	1	119.3530	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[5,6a]N)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[5,6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	118.7650	0.000	1	118.7650	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	118.6150	0.000	1	118.6150	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6,6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6,6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.1080	0.000	1	119.1080	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.6230	1.160	2	119.6230	1.345	2	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	117.1225	0.081	2	119.1069	0.789	15	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.4312	0.416	12	119.1069	0.789	15	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|O<3>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.1830	0.000	1	119.1069	0.789	15	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	116.3370	0.437	8	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	115.9560	0.000	1	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.5390	0.000	1	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	116.4070	0.000	1	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	116.1300	0.000	1	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	114.2935	0.555	2	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	115.9187	0.159	3	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	114.3130	0.000	1	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.3370	0.000	1	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.8188	0.736	5	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.0524	0.242	5	117.1406	3.133	29	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.8897	0.558	7	119.8897	0.311	7	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	117.1940	0.000	1	117.1940	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6,6a]C[6a])	118.6330	0.000	1	118.6330	0.000	1	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6,6a]C[6a])	121.2470	0.000	1	119.5245	5.934	2	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6,6a]C[6a])	117.8020	0.000	1	119.5245	5.934	2	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|B<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	119.7957	0.437	3	119.7804	0.349	11	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	119.4720	0.000	1	119.7804	0.349	11	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	120.0172	0.517	6	119.7804	0.349	11	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ga<4>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	118.6220	0.000	1	119.7804	0.349	11	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	119.9490	0.000	1	121.0757	2.312	3	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6,6a]C[6a])	121.6390	1.649	2	121.0757	2.312	3	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6,6a]C[6a])	117.9480	0.570	3	117.9480	0.325	3	118.4919	3.246	81	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]Cl)(H){1|O<2>,2|C<4>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.7390	0.000	1	118.7390	0.000	1	118.7390	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(Cl)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(Cl){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.0107	0.746	12	116.0107	0.557	12	116.4521	1.736	14	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Cl)(H){1|O<2>,2|C<3>,3|C<4>}	Cl(C[6a]C[6a,6a]C[6a])	119.1005	0.284	2	119.1005	0.080	2	116.4521	1.736	14	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){1|N<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.3415	0.298	2	121.3415	0.089	2	119.0011	2.554	19	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.3640	0.000	1	117.3640	0.000	1	119.0011	2.554	19	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]Cl)(Cl){5|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.7716	0.669	10	118.7716	0.448	10	119.0011	2.554	19	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.9605	0.350	2	116.9605	0.123	2	119.0011	2.554	19	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>,2|N<2>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.8060	0.024	2	117.8060	0.001	2	119.0011	2.554	19	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>,2|N<2>}	Cl(C[6a]C[6a,6a]C[6a])	121.8620	0.134	2	121.8620	0.018	2	119.0011	2.554	19	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(H){1|O<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.1740	0.000	1	115.9460	3.765	3	116.7184	2.017	14	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	114.8320	0.291	2	115.9460	3.765	3	116.7184	2.017	14	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(Cl){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.9292	0.789	6	115.9292	0.622	6	116.7184	2.017	14	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]Cl)(H){5|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.1288	0.159	5	118.1288	0.025	5	116.7184	2.017	14	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.6130	0.000	1	116.6130	0.000	1	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.5940	0.000	1	116.6325	0.003	2	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.6710	0.000	1	116.6325	0.003	2	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.3510	0.000	1	117.3510	0.000	1	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.3450	1.224	3	118.3450	1.498	3	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)2(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)2(Cl){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.9720	0.792	11	117.9720	0.628	11	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.2343	0.383	3	117.9122	2.491	11	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.0414	0.583	8	117.9122	2.491	11	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.7500	0.321	2	115.7500	0.103	2	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a,6a]C[6a])	121.7237	0.348	4	121.7237	0.121	4	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.1940	0.000	1	121.1940	0.000	1	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a,6a]C[6a])	122.8590	0.000	1	122.8590	0.000	1	118.3632	3.770	37	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(F)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Cl){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a,6a]C[6a])	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.8610	0.147	2	115.8610	0.022	2	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	113.1707	1.158	3	113.1707	1.342	3	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a,6a]Cl)(H){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.0980	0.972	8	117.0980	0.945	8	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a,6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a,6a]H)(H){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.2610	0.255	2	115.2610	0.065	2	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	114.7270	0.000	1	114.7270	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.3530	0.000	1	116.3530	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.3402	0.265	4	119.3018	0.060	5	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(H){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.1480	0.000	1	119.3018	0.060	5	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.8967	0.332	4	118.2042	2.481	5	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.4340	0.000	1	118.2042	2.481	5	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.5680	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.2182	0.195	4	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.7290	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.1770	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.0820	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.8280	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.9540	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.3833	0.302	4	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Se<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.5505	0.793	2	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.6623	0.176	8	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.9390	2.995	2	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.6290	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.7940	0.013	2	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.2800	0.000	1	117.4839	3.470	30	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.7320	0.000	1	119.0132	2.294	9	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.4369	0.708	7	119.0132	2.294	9	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.3290	0.000	1	119.0132	2.294	9	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.0668	0.842	5	118.0668	0.709	5	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	115.6120	0.133	2	119.0997	3.332	11	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.8748	0.668	9	119.0997	3.332	11	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N)(H){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.8710	0.000	1	118.8710	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N[6])(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	Cl(C[6a]C[6a,6a]C[6a])	118.6060	0.000	1	118.6060	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.2410	0.000	1	120.2410	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a,6a]C[6a])	120.0850	0.000	1	119.9273	0.402	12	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a,6a]C[6a])	120.5883	0.512	4	119.9273	0.402	12	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a,6a]C[6a])	119.5136	0.341	5	119.9273	0.402	12	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.5605	0.524	2	119.9273	0.402	12	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	Cl(C[6a]C[6a,6a]C[6a])	120.2310	0.000	1	120.2310	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a,6a]C[6a])	120.3725	0.015	2	120.3725	0.000	2	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a,6a]C[6a])	120.3460	0.000	1	120.3460	0.000	1	118.1325	4.031	101	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	119.6345	0.400	2	119.6345	0.160	2	119.6345	0.160	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.9868	0.335	4	119.9868	0.112	4	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.9040	0.000	1	119.9040	0.000	1	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7390	0.000	1	119.7390	0.000	1	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	120.3320	0.000	1	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7770	0.477	4	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	120.1150	0.000	1	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5330	0.000	1	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	120.0762	0.296	6	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	Cl(C[6a]C[6a]2)	119.9310	0.000	1	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5422	0.321	34	119.6648	0.146	48	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6455	0.322	2	119.3840	0.176	6	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2532	0.437	4	119.3840	0.176	6	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<5>}	Cl(C[6a]C[6a]2)	118.9694	0.424	24	119.1418	0.883	108	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>,1|P<6>}	Cl(C[6a]C[6a]2)	119.1511	1.057	78	119.1418	0.883	108	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|Ge<5>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3775	0.373	4	119.1418	0.883	108	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|In<6>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3795	0.105	2	119.1418	0.883	108	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|H<1>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6870	0.000	1	120.6870	0.000	1	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2910	0.000	1	119.9765	0.198	2	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6620	0.000	1	119.9765	0.198	2	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]Cl)(Cl){1|Cl<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(Cl){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6510	0.000	1	118.6510	0.000	1	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.2420	0.000	1	118.2420	0.000	1	119.3333	0.689	173	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,5|C<4>}	Cl(C[6a]C[6a]2)	117.9530	0.000	1	117.9530	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.4010	0.000	1	117.4010	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	116.4410	0.000	1	116.4410	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.7170	0.000	1	117.7170	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8360	0.000	1	118.8360	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	118.6330	0.000	1	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9740	0.000	1	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	117.7650	0.000	1	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7210	0.000	1	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7360	0.317	2	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8800	0.495	4	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6395	0.634	2	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	117.7720	0.000	1	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0250	0.000	1	118.8686	0.477	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.1320	0.000	1	119.1320	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Cl(C[6a]C[6a]2)	121.4720	0.000	1	119.7460	2.451	3	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.8830	0.658	2	119.7460	2.451	3	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.1090	0.000	1	118.1090	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.3157	0.226	4	118.3157	0.051	4	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0935	0.018	2	119.0002	0.037	4	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9070	0.273	2	119.0002	0.037	4	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.6946	0.270	5	118.6946	0.073	5	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	119.3840	0.000	1	119.5580	0.573	3	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	120.3870	0.000	1	119.5580	0.573	3	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.9030	0.000	1	119.5580	0.573	3	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	Cl(C[6a]C[6a]2)	119.2330	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	118.9150	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1810	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	118.7310	0.000	2	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5050	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2630	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8634	0.291	7	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8413	0.538	14	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.8617	0.529	6	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.7430	0.098	2	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.6436	0.508	22	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	118.8700	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	Cl(C[6a]C[6a]2)	118.4010	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.9970	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9490	0.206	2	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9510	0.000	1	118.7549	0.204	64	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	119.8590	0.000	1	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Cl(C[6a]C[6a]2)	118.9600	0.000	1	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4744	0.624	5	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.5256	0.312	8	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.6767	0.351	3	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.0470	0.000	1	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6190	0.000	1	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.4193	2.524	11	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	Cl(C[6a]C[6a]2)	118.6633	0.357	9	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	Cl(C[6a]C[6a]2)	118.7583	0.310	3	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.8560	0.027	2	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	117.8890	0.000	1	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2680	0.000	1	118.8259	1.646	47	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5463	0.659	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.7635	0.605	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Cl(C[6a]C[6a]2)	119.0350	0.526	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8855	0.029	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.2780	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4407	0.433	3	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7150	0.407	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.8715	0.456	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1180	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.6080	0.471	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.4560	0.749	3	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8960	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7037	0.293	7	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.9850	0.139	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.9578	0.282	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<4>,3|C<3>}	Cl(C[6a]C[6a]2)	118.1000	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7533	1.177	3	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a]2)	118.9520	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2600	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.2710	0.956	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.1160	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.2510	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.1120	0.282	3	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0480	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.3050	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2390	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6300	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.4525	0.317	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	119.1945	0.125	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3574	0.716	5	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Cl(C[6a]C[6a]2)	119.2140	0.191	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.5943	0.322	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0650	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7858	0.445	6	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3053	0.607	11	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7518	0.340	6	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2590	0.438	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9767	0.737	4	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3900	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7940	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	117.8255	0.282	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.8390	0.099	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<2>}	Cl(C[6a]C[6a]2)	117.9130	0.410	2	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.6190	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8057	0.302	3	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	119.1280	0.000	1	118.8684	0.362	119	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3630	0.000	1	118.7280	0.806	2	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.0930	0.000	1	118.7280	0.806	2	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.7960	0.465	2	118.7960	0.216	2	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3240	0.106	4	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	119.7520	0.000	1	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	117.9135	0.421	16	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1412	0.446	6	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.1050	0.554	8	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	117.9430	0.000	1	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3090	1.277	2	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.2983	0.131	3	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	117.8260	0.000	1	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4220	0.000	1	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0070	0.000	1	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8430	0.000	1	118.1312	0.297	45	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7105	0.620	2	119.0080	0.179	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0444	0.318	7	119.0080	0.179	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1295	0.129	2	119.0080	0.179	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0403	0.743	3	119.0080	0.179	14	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4710	0.000	1	119.4710	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|I<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.7380	0.000	1	116.7380	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	120.4850	0.000	1	119.0122	0.880	5	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.6440	0.520	4	119.0122	0.880	5	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.6480	0.000	1	119.6480	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6640	0.000	1	118.6640	0.000	1	118.7354	0.602	342	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl){3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	117.3090	0.000	1	117.3090	0.000	1	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5230	0.347	14	119.5230	0.120	14	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.8830	0.089	3	119.5550	0.182	7	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9110	0.000	1	119.5550	0.182	7	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4417	0.387	3	119.5550	0.182	7	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2725	0.285	4	119.2725	0.081	4	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(Cl){1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2690	0.000	1	120.2690	0.000	1	119.4398	0.324	27	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(Cl){1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1040	0.000	1	119.1040	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9080	0.000	1	117.9080	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	116.5770	0.000	1	116.5770	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5431	0.498	10	118.5431	0.248	10	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	117.5085	0.033	2	117.5085	0.001	2	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8595	0.171	4	118.7342	0.075	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2630	0.000	1	118.7342	0.075	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7040	0.000	1	118.7342	0.075	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	116.7818	0.504	4	116.7818	0.254	4	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|F<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1720	0.000	1	120.1720	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2530	0.000	1	118.9285	0.211	2	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6040	0.000	1	118.9285	0.211	2	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9920	0.000	1	119.0900	0.200	21	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0579	0.391	15	119.0900	0.200	21	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1250	0.738	4	119.0900	0.200	21	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5300	0.000	1	119.0900	0.200	21	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9990	0.342	3	119.1435	0.139	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5240	0.000	2	119.1435	0.139	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8160	0.000	1	119.1435	0.139	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0038	0.434	5	118.9825	0.261	8	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3060	0.000	1	118.9825	0.261	8	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1060	0.000	1	118.9825	0.261	8	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.4290	0.000	1	118.9825	0.261	8	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7225	0.435	8	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4297	0.101	3	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1530	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|F<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0360	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2150	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9769	0.344	14	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5293	0.051	3	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7130	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2720	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8570	0.314	2	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9413	0.399	7	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5534	0.191	18	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4400	0.223	8	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9077	0.552	12	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7850	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4910	0.000	1	118.8131	0.194	82	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9290	0.000	1	117.9290	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.4300	0.000	1	118.4300	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5870	0.955	2	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6975	0.494	12	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5932	0.504	5	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7650	0.000	1	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2010	0.293	3	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3220	0.476	3	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2810	0.000	1	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2100	0.001	2	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.1520	0.000	1	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,3|C<3>}	Cl(C[6a]C[6a]2)	117.7570	0.144	2	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.9590	0.000	1	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7790	0.000	1	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8445	0.237	2	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6569	0.487	8	118.5203	0.274	44	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.7130	0.100	2	118.2713	0.270	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1260	0.000	1	118.2713	0.270	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5790	0.000	1	118.2713	0.270	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7485	0.378	2	118.2713	0.270	6	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7484	0.246	10	118.8234	0.116	11	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5730	0.000	1	118.8234	0.116	11	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0700	0.000	1	120.0700	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(Cl){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	Cl(C[6a]C[6a]2)	117.2130	0.000	1	117.2130	0.000	1	118.7005	0.378	210	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]O[6a]C)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]O[6a]C)(Cl){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(O){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	115.9110	0.576	2	115.9110	0.331	2	115.9110	0.331	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.0180	0.000	1	118.0180	0.000	1	118.0180	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	120.1180	0.303	2	120.1180	0.092	2	120.0808	0.181	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8924	0.212	10	119.8924	0.045	10	120.0808	0.181	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|Os<6>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(Cl){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.5210	0.000	1	120.5210	0.000	1	120.0808	0.181	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2450	0.000	1	120.7655	0.542	2	120.0808	0.181	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.2860	0.000	1	120.7655	0.542	2	120.0808	0.181	15	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,5|C<4>}	Cl(C[6a]C[6a]2)	116.9940	0.000	1	116.9940	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6910	0.000	1	118.6910	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H){1|Br<1>,1|Cl<1>,1|B<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3145	1.162	2	119.2372	0.479	4	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]B[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|B<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1600	0.252	2	119.2372	0.479	4	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5335	0.098	2	119.5335	0.010	2	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	Cl(C[6a]C[6a]2)	120.1013	0.414	3	120.3868	0.272	5	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.8150	0.368	2	120.3868	0.272	5	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2710	0.000	1	119.2710	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	Cl(C[6a]C[6a]2)	119.3825	0.548	2	119.4137	0.225	10	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3420	0.457	3	119.4137	0.225	10	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.4692	0.565	5	119.4137	0.225	10	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2560	0.000	1	118.9985	0.176	6	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3965	0.200	2	118.9985	0.176	6	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6500	0.000	1	118.9985	0.176	6	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6460	0.296	2	118.9985	0.176	6	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<4>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7535	0.418	2	118.7535	0.175	2	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	119.9850	0.000	1	119.9850	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2970	0.000	1	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	118.7700	0.000	1	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	119.9200	0.413	2	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8370	0.000	1	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3065	0.439	4	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.5870	0.000	2	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7430	0.902	2	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	Cl(C[6a]C[6a]2)	119.1470	0.000	1	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0365	0.511	2	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Cl(C[6a]C[6a]2)	119.0125	0.148	2	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.7900	0.000	1	119.5613	0.391	19	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0200	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	119.1670	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,4|C<4>}	Cl(C[6a]C[6a]2)	118.6520	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5580	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2910	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	119.9600	1.085	2	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0910	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.0250	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3530	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9580	0.000	1	119.2759	0.379	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Br<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7135	0.282	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8820	0.151	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	Cl(C[6a]C[6a]2)	119.6890	0.297	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>,2|N<3>}	Cl(C[6a]C[6a]2)	118.4500	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3466	0.928	5	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.0877	0.366	12	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	119.3110	0.057	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a]2)	119.5960	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Cl(C[6a]C[6a]2)	119.4440	0.731	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Cl(C[6a]C[6a]2)	118.7100	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.0090	0.314	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8660	1.543	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	122.6390	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7800	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1520	0.218	4	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	119.5130	0.457	6	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.2497	0.486	11	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2670	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1140	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.2735	0.221	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2432	0.625	6	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0940	0.332	4	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9400	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7040	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8100	0.317	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1980	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1770	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Cl(C[6a]C[6a]2)	119.5037	0.362	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Cl(C[6a]C[6a]2)	119.2292	0.923	5	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.4380	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0575	0.040	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.2440	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5580	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5490	0.528	4	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6457	0.177	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2140	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3469	0.586	7	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Cl(C[6a]C[6a]2)	119.6293	0.222	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.5910	0.393	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4815	0.173	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2720	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1310	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9730	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4010	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4677	0.647	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6680	0.245	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8960	0.281	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1160	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7105	0.169	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7340	0.020	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0080	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2287	0.087	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7850	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.3410	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.1590	0.000	1	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1250	0.241	3	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2490	0.460	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|Si<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.4245	0.462	2	119.3607	0.389	144	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.9130	0.000	1	118.9130	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5000	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1250	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2800	0.102	2	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7070	0.287	5	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	Cl(C[6a]C[6a]2)	118.3230	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	117.9270	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1320	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5800	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0570	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1545	0.470	4	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1030	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0400	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|Ir<8>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0330	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5250	0.168	2	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2350	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3075	0.656	13	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7040	0.000	1	118.9874	0.369	38	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0843	0.344	3	118.9593	0.120	9	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4750	0.000	1	118.9593	0.120	9	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.1260	0.000	1	118.9593	0.120	9	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>}	Cl(C[6a]C[6a]2)	118.5670	0.052	2	118.9593	0.120	9	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8230	0.175	2	118.9593	0.120	9	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8060	0.000	1	118.8060	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5407	0.150	3	119.5141	0.107	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1015	0.281	2	119.5141	0.107	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	Cl(C[6a]C[6a]2)	119.6442	0.355	5	119.5141	0.107	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	Cl(C[6a]C[6a]2)	119.6090	0.000	1	119.5141	0.107	11	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){3|C<3>,3|O<2>}	Cl(C[6a]C[6a]2)	119.8144	0.230	5	119.8144	0.053	5	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5505	0.042	2	119.5505	0.002	2	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5280	0.018	2	119.5280	0.000	2	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|S<4>}	Cl(C[6a]C[6a]2)	117.3240	0.498	2	117.2755	0.214	27	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|S<4>}	Cl(C[6a]C[6a]2)	117.5455	0.408	2	117.2755	0.214	27	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,2|S<4>}	Cl(C[6a]C[6a]2)	117.2409	0.505	15	117.2755	0.214	27	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|S<4>}	Cl(C[6a]C[6a]2)	117.2609	0.449	8	117.2755	0.214	27	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl){1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2380	0.000	1	120.2380	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	Cl(C[6a]C[6a]2)	119.9420	0.000	1	119.9420	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	Cl(C[6a]C[6a]2)	119.7230	0.000	1	119.7230	0.000	1	119.1447	0.724	306	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Br){1|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0445	0.189	2	120.0445	0.036	2	120.0445	0.036	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl)	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a,6a]Cl)(Cl){3|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7980	0.000	1	119.7980	0.000	1	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]Cl)(Cl){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7080	0.000	1	119.7080	0.000	1	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|S<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7810	0.000	1	119.9120	0.034	2	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|S<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0430	0.000	1	119.9120	0.034	2	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.3817	0.493	3	120.3817	0.243	3	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.5930	0.346	8	120.7956	0.233	11	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	121.3360	0.377	3	120.7956	0.233	11	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.5337	0.795	4	120.5337	0.632	4	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4430	0.000	1	119.4430	0.000	1	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(Cl){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.9380	0.000	1	119.9380	0.000	1	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	121.3770	0.119	2	121.3770	0.014	2	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)2(Cl)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)2(Cl){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.5802	1.099	10	119.5802	1.208	10	120.2583	0.794	36	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a,6a]S[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(Cl){1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a,6a]S[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	117.3650	0.000	1	117.3650	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2470	0.000	1	118.2470	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,3|C<3>}	Cl(C[6a]C[6a]2)	118.5010	0.000	1	118.5010	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3302	0.549	12	119.5389	0.460	17	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4970	0.000	1	119.5389	0.460	17	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.1753	0.796	4	119.5389	0.460	17	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1745	0.546	18	119.2068	0.327	20	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1890	0.000	1	119.2068	0.327	20	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8060	0.000	1	119.2068	0.327	20	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.5320	0.000	1	118.5320	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	121.6150	0.000	1	121.6150	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1353	0.542	3	120.1353	0.294	3	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]Cl)(H){1|F<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.1490	0.000	1	121.1490	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	Cl(C[6a]C[6a]2)	119.9500	0.416	2	119.0941	0.738	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6445	0.699	2	119.0941	0.738	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	117.8655	0.197	2	119.0941	0.738	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0500	0.000	1	119.0941	0.738	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.7580	0.000	1	119.0941	0.738	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|I<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1190	0.000	1	119.0941	0.738	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9675	0.356	2	119.3108	0.215	14	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1260	0.000	1	119.3108	0.215	14	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.2991	0.420	11	119.3108	0.215	14	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2470	0.000	1	119.2470	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.9855	0.213	2	118.9855	0.045	2	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3930	0.246	2	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.4145	0.144	2	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|F<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4410	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	119.6577	0.356	3	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9240	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.8585	0.394	2	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	Cl(C[6a]C[6a]2)	119.8005	0.488	4	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7025	0.398	2	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5067	0.194	3	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.4130	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0070	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7645	0.395	2	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5388	0.489	46	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.8924	1.093	11	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2840	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1643	0.469	6	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6664	0.714	10	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1770	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<2>}	Cl(C[6a]C[6a]2)	119.6830	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.0990	0.410	7	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7820	0.702	9	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3000	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4894	0.710	8	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8710	0.606	3	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2220	0.000	1	119.5653	0.392	129	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5942	0.538	6	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2900	0.000	1	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0640	0.122	2	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6475	0.483	80	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5220	0.243	3	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.5465	0.716	2	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5710	0.000	1	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.1140	0.000	1	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8990	0.000	1	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7400	0.000	1	119.5486	0.308	98	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0624	0.707	9	119.0624	0.500	9	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6093	0.269	4	118.6093	0.072	4	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4080	0.106	2	119.4080	0.011	2	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.4125	0.348	6	121.4125	0.121	6	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Cl){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	Cl(C[6a]C[6a]2)	118.5120	0.000	1	118.5120	0.000	1	119.5109	0.491	321	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(I){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.8910	0.062	2	121.8910	0.004	2	121.8910	0.004	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Br){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.2760	0.000	1	119.2760	0.000	1	120.8926	0.562	8	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0400	0.000	1	121.1846	0.183	5	120.8926	0.562	8	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0053	0.274	3	121.1846	0.183	5	120.8926	0.562	8	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.8670	0.000	1	121.1846	0.183	5	120.8926	0.562	8	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Br){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.9710	0.390	2	120.9710	0.152	2	120.8926	0.562	8	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.9735	0.576	2	119.9735	0.332	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.9260	0.259	2	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4321	0.432	7	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.7425	0.045	2	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5087	0.353	4	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2319	0.991	106	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.9814	0.298	7	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7584	0.394	39	120.0505	0.735	167	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2050	0.096	2	120.2382	0.351	15	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1585	1.051	2	120.2382	0.351	15	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2587	0.615	11	120.2382	0.351	15	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4947	0.325	4	119.6391	0.082	26	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.6398	0.218	4	119.6391	0.082	26	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.1135	0.211	4	119.6391	0.082	26	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5446	0.166	14	119.6391	0.082	26	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.1385	0.249	4	120.3040	0.368	24	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.2360	0.466	4	120.3040	0.368	24	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.0452	0.429	4	120.3040	0.368	24	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1348	0.633	12	120.3040	0.368	24	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7310	0.010	2	119.7310	0.000	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	120.3720	0.331	2	120.1631	0.843	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.1213	1.003	10	120.1631	0.843	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8098	0.684	4	120.4223	0.771	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6475	0.805	2	120.4223	0.771	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0485	0.292	2	119.0485	0.085	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4440	0.000	1	119.4440	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.8610	0.000	1	120.8610	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	118.7018	0.441	4	119.1118	0.346	15	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2609	0.578	11	119.1118	0.346	15	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0807	0.084	3	119.0807	0.007	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.1503	0.423	19	120.1598	0.236	38	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8790	0.000	1	120.1598	0.236	38	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.4150	0.000	1	120.1598	0.236	38	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.1790	0.000	1	120.1598	0.236	38	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.4030	0.000	1	120.1598	0.236	38	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0893	0.548	15	120.1598	0.236	38	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(Cl){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.4750	0.134	3	120.4750	0.018	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.7460	0.000	1	119.1771	0.691	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.1175	0.186	2	119.1771	0.691	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8410	0.000	1	119.1771	0.691	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3695	0.326	2	119.1771	0.691	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.6790	0.000	1	119.1771	0.691	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.2280	0.000	1	119.2280	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.0330	0.000	1	119.6639	0.912	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7940	0.000	1	119.6639	0.912	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.3022	0.365	21	119.6639	0.912	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6080	0.537	4	119.6639	0.912	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2548	0.439	9	119.6639	0.912	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){5|C<3>}	Cl(C[6a]C[6a]2)	119.6770	0.000	1	119.3995	0.154	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.1220	0.000	1	119.3995	0.154	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9110	0.000	1	119.5779	0.378	16	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6931	0.336	10	119.5779	0.378	16	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2810	0.996	5	119.5779	0.378	16	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5205	0.022	2	119.4720	0.119	5	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){3|C<3>}	Cl(C[6a]C[6a]2)	118.9210	0.000	1	119.4720	0.119	5	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6990	0.252	2	119.4720	0.119	5	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|B<3>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3114	0.869	7	119.3114	0.755	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.2410	0.226	2	120.3160	0.552	31	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	120.9121	0.426	9	120.3160	0.552	31	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0552	0.744	20	120.3160	0.552	31	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9185	0.040	2	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4484	0.718	7	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.1740	0.000	1	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4421	0.722	8	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3660	0.000	1	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.1100	0.000	1	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5375	0.606	2	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2913	0.758	10	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.0485	0.441	2	118.9779	1.127	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3110	0.283	2	120.3110	0.080	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3240	0.000	1	119.5507	2.263	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0990	0.000	1	119.5507	2.263	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,2|C<3>}	Cl(C[6a]C[6a]2)	121.2290	0.000	1	119.5507	2.263	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6515	0.339	2	118.6515	0.115	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2850	0.000	1	119.5632	1.313	65	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8640	0.000	1	119.5632	1.313	65	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0490	0.000	1	119.5632	1.313	65	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7139	1.131	43	119.5632	1.313	65	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,2|C<2>}	Cl(C[6a]C[6a]2)	120.5653	0.740	7	119.5632	1.313	65	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5631	0.575	12	119.5632	1.313	65	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Co<5>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3465	0.390	4	119.3465	0.152	4	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Fe<4>,1|C<3>}	Cl(C[6a]C[6a]2)	119.1020	0.594	2	119.1020	0.353	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3405	0.018	2	120.3405	0.000	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.9540	0.000	1	120.5797	0.110	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.3510	0.000	1	120.5797	0.110	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.3880	0.091	2	120.5797	0.110	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.7975	0.504	2	120.5797	0.110	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	120.3820	0.000	1	120.5797	0.110	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.6610	0.000	1	120.6459	0.278	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.8002	0.438	9	120.6459	0.278	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.6520	0.000	1	120.6459	0.278	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.0230	0.572	4	120.6459	0.278	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5070	0.549	21	120.6459	0.278	36	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6220	0.000	1	120.6823	0.168	16	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6542	0.439	10	120.6823	0.168	16	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.7506	0.433	5	120.6823	0.168	16	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2590	0.000	1	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3340	0.263	2	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4619	0.791	8	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8060	0.000	1	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6510	0.000	1	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7660	0.488	2	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.7180	0.238	7	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3825	0.036	2	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6929	0.358	10	120.8333	0.460	34	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.7200	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9194	0.568	57	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.8150	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.3603	0.260	3	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2944	0.380	5	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.4298	0.825	6	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.8467	0.941	3	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.1145	0.494	31	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	121.4550	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9735	0.609	41	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.0026	0.436	8	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.8820	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3460	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.2790	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.4030	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0399	0.119	7	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.0815	1.166	8	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7235	0.384	2	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.4850	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8790	0.555	57	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	121.3788	0.463	5	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.9423	0.833	41	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	121.2160	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8884	0.263	7	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	120.4140	0.276	2	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9548	1.340	165	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.0295	1.641	11	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.8833	0.493	67	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Sn<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.1737	0.227	3	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	121.0002	1.329	6	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.2245	0.196	8	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.7075	1.424	8	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	120.8580	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4267	1.581	11	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.3107	0.155	3	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Sn<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.1125	0.167	4	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	121.5340	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.5250	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7795	0.504	67	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.6740	0.244	3	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.2322	0.474	100	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Pt<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.4530	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.0190	0.000	1	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9810	0.075	4	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7632	0.297	4	120.9950	0.750	761	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	121.3060	0.000	1	120.4178	0.219	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3830	0.105	2	120.4178	0.219	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2410	0.420	22	120.4178	0.219	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8766	0.228	8	120.4178	0.219	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1180	0.180	2	120.4178	0.219	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2668	0.708	5	120.2426	0.337	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1820	0.102	2	120.2426	0.337	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3860	0.144	3	120.4063	0.018	11	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4100	0.153	7	120.4063	0.018	11	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4410	0.000	1	120.4063	0.018	11	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0260	0.000	1	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.5350	0.265	6	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.5182	0.235	4	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.5250	0.000	1	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6550	0.000	1	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1683	0.516	58	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.5335	0.046	2	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1545	0.129	8	120.2167	0.220	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4643	0.450	21	120.4452	0.190	23	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2445	0.183	2	120.4452	0.190	23	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	119.7665	0.091	2	119.7665	0.008	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|I<1>}	Cl(C[6a]C[6a]2)	119.0262	0.311	18	119.0262	0.097	18	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6500	0.000	1	120.5571	0.254	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.1540	0.274	2	120.5571	0.254	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.5151	0.506	22	120.5571	0.254	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3360	0.048	2	120.5571	0.254	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	120.9417	0.318	8	120.5571	0.254	35	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	120.1350	0.803	2	120.1350	0.645	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.1085	0.033	2	119.1085	0.001	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	121.7140	0.000	1	121.5303	0.137	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.7730	0.000	1	121.5303	0.137	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.1040	0.000	1	121.5303	0.137	3	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8834	0.712	5	120.8591	0.355	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.7985	0.299	2	120.8591	0.355	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.5620	0.695	10	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6195	0.320	4	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8850	0.000	1	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	121.1785	0.128	2	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,1|S<4>}	Cl(C[6a]C[6a]2)	120.5300	0.000	1	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	120.6135	0.163	2	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6242	0.400	23	120.6385	0.213	43	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6328	0.300	6	120.6836	0.570	103	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8556	0.861	62	120.6836	0.570	103	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<3>}	Cl(C[6a]C[6a]2)	120.3980	0.000	1	120.6836	0.570	103	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3980	0.000	1	120.6836	0.570	103	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3869	0.487	33	120.6836	0.570	103	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.4340	0.000	1	120.4340	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<3>}	Cl(C[6a]C[6a]2)	117.6783	0.973	6	117.8542	0.750	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<4>}	Cl(C[6a]C[6a]2)	118.4395	0.611	4	117.8542	0.750	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<5>}	Cl(C[6a]C[6a]2)	117.2110	0.132	2	117.8542	0.750	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	Cl(C[6a]C[6a]2)	115.6660	0.000	1	115.6660	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	116.9465	0.558	2	116.9465	0.311	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	120.4343	0.328	3	119.8441	0.331	11	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.5881	0.516	7	119.8441	0.331	11	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|S<4>}	Cl(C[6a]C[6a]2)	119.8650	0.000	1	119.8441	0.331	11	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6a]C[6a]2)	120.3495	0.333	2	119.2172	1.083	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<1>}	Cl(C[6a]C[6a]2)	118.2580	0.052	2	119.2172	1.083	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[6a]2)	119.0440	0.915	2	119.2172	1.083	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Si)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Si)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Si<4>,1|C<3>}	Cl(C[6a]C[6a]2)	117.1218	0.321	6	117.1218	0.103	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]V)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]V)(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|V<8>}	Cl(C[6a]C[6a]2)	116.5145	0.581	4	116.5145	0.338	4	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.0292	0.491	10	120.0292	0.241	10	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	121.8850	0.000	1	122.1130	0.104	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	122.3410	0.000	1	122.1130	0.104	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	123.8200	0.000	1	123.7195	0.020	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	123.6190	0.000	1	123.7195	0.020	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1210	0.000	1	120.1210	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1685	0.071	2	120.1478	0.019	5	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0480	0.158	2	120.1478	0.019	5	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.3060	0.000	1	120.1478	0.019	5	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.5976	0.269	7	120.5976	0.072	7	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.5886	0.247	7	120.1022	1.417	63	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2040	0.000	1	120.1022	1.417	63	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	Cl(C[6a]C[6a]2)	120.3450	0.000	1	120.1022	1.417	63	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9203	1.415	42	120.1022	1.417	63	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.3896	0.297	11	120.1022	1.417	63	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8280	0.000	1	120.1022	1.417	63	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Co<5>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2078	0.244	4	120.2078	0.059	4	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Fe<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	121.1155	0.103	2	121.1155	0.011	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	121.9000	0.000	1	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.5688	0.214	6	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	121.0057	0.340	58	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.8893	0.135	8	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	120.8400	0.000	1	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3950	0.310	4	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.3750	0.028	2	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.9360	0.000	1	120.9242	0.138	81	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.5940	0.783	2	120.5940	0.614	2	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1557	0.145	6	119.9034	0.706	101	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8181	1.024	61	119.9034	0.706	101	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<3>}	Cl(C[6a]C[6a]2)	120.1180	0.000	1	119.9034	0.706	101	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.9975	0.447	32	119.9034	0.706	101	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3650	0.000	1	119.9034	0.706	101	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2485	0.238	6	120.2603	0.086	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.1817	0.347	4	120.2603	0.086	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<5>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.4530	0.447	2	120.2603	0.086	12	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.4360	0.000	1	120.4360	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.4530	0.389	2	120.2288	0.257	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.4425	0.733	2	120.2288	0.257	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6a]C[6a]2)	119.7910	0.141	2	120.2288	0.257	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Si)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Si<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Si)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.9622	0.245	6	120.9622	0.060	6	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]V)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|V<8>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]V)(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	Cl(C[6a]C[6a]2)	121.7095	0.185	4	121.7095	0.034	4	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.7435	0.497	10	120.7435	0.247	10	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.1986	0.196	7	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	119.6910	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5700	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	120.9280	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8498	0.403	4	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.4140	0.011	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.9605	1.292	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3110	0.911	62	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<3>}	Cl(C[6a]C[6a]2)	120.4650	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7637	0.432	33	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8310	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.8252	0.286	6	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<4>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.0370	0.830	4	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<5>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.6310	0.499	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<1>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.2020	0.048	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7645	0.265	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6a]C[6a]2)	120.1520	0.238	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|V<8>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7917	0.725	8	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|V<8>}	Cl(C[6a]C[6a]2)	120.2618	0.344	8	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Co<5>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Co<5>,1|C<3>}	Cl(C[6a]C[6a]2)	119.8017	0.248	4	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Fe<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.1495	0.145	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5430	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Si<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.4805	0.476	6	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0120	0.184	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	Cl(C[6a]C[6a]2)	120.9550	0.000	1	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2072	1.171	43	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.8171	0.490	14	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|B<3>,1|C<3>}	Cl(C[6a]C[6a]2)	120.0071	0.180	7	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.8770	0.929	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3976	0.413	32	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<3>}	Cl(C[6a]C[6a]2)	120.1862	0.195	6	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<4>}	Cl(C[6a]C[6a]2)	119.9133	0.540	3	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|P<5>}	Cl(C[6a]C[6a]2)	120.2020	0.064	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<1>}	Cl(C[6a]C[6a]2)	120.6490	0.055	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[6a]2)	119.9890	0.161	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Fe<4>,1|C<3>}	Cl(C[6a]C[6a]2)	120.0855	0.278	2	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|Si<4>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2918	0.280	6	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0894	0.457	14	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.0032	1.276	26	120.0954	0.625	326	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4200	0.000	1	119.4200	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.1600	0.000	1	121.1600	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3919	0.370	21	119.5455	0.384	23	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.1590	0.088	2	119.5455	0.384	23	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2300	0.000	1	120.2300	0.000	1	120.3860	1.000	2476	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(F){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.5180	0.000	1	119.5180	0.000	1	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(F){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1310	0.214	3	119.8234	0.357	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(F){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3620	0.791	2	119.8234	0.357	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2353	0.652	3	119.3826	0.309	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9380	0.000	1	119.3826	0.309	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2690	0.000	1	119.3826	0.309	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(F){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0070	0.000	1	120.0070	0.000	1	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4430	0.000	1	118.7835	3.594	2	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1240	0.000	1	118.7835	3.594	2	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	119.1200	0.651	2	119.4016	0.249	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6950	0.000	1	119.4016	0.249	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(F){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.5365	0.540	2	119.4016	0.249	5	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(F){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.5040	0.000	1	119.5040	0.000	1	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(F){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7360	0.000	1	119.6374	0.015	7	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6210	0.124	6	119.6374	0.015	7	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5130	0.000	1	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8770	1.256	2	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1095	0.037	2	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1541	0.476	17	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6660	0.000	1	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3830	0.000	1	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.2520	0.000	1	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.8194	0.250	5	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8260	0.158	2	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9331	0.443	11	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1672	0.784	5	120.1303	0.284	48	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(F){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3700	0.344	2	120.3700	0.118	2	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.1560	0.000	1	120.1560	0.000	1	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(F){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3860	0.000	1	120.3860	0.000	1	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	Cl(C[6a]C[6a]2)	120.2165	0.240	2	120.8720	0.226	11	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	120.6637	0.209	4	120.8720	0.226	11	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.3173	0.197	4	120.8720	0.226	11	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	121.2350	0.000	1	120.8720	0.226	11	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	121.4718	0.336	10	121.4718	0.113	10	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|Cl<1>,1|Rh<7>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	121.6305	0.707	4	121.8044	0.304	8	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|Cl<1>,1|Rh<8>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	121.9783	0.360	4	121.8044	0.304	8	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]F)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|F<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	Cl(C[6a]C[6a]2)	120.7605	0.026	2	120.7605	0.001	2	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|F<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	Cl(C[6a]C[6a]2)	121.2635	0.214	2	121.2635	0.046	2	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)2(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	120.5632	0.446	10	120.5566	0.236	18	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)2(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|Cl<1>,1|Rh<7>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	120.6158	0.517	4	120.5566	0.236	18	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(Cl)	C[6a](C[6a]C[6a]Cl)2(F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(Cl){1|Cl<1>,1|Rh<8>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(F){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	120.4810	0.678	4	120.5566	0.236	18	120.3650	0.685	130	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	116.8250	0.352	2	116.8250	0.124	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0880	0.000	1	119.0880	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3480	0.000	1	118.0785	0.145	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8090	0.000	1	118.0785	0.145	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.0430	0.000	1	118.5583	0.230	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.9910	0.000	1	118.5583	0.230	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6410	0.000	1	118.5583	0.230	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0780	0.615	2	118.5717	0.742	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8100	0.000	1	118.5717	0.742	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1547	0.789	3	118.5717	0.742	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C[3])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6880	0.000	1	119.6880	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4620	0.820	4	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5320	0.000	1	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7460	0.970	2	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5080	0.000	1	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.0940	0.000	1	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6370	0.506	3	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8630	0.103	2	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4425	0.056	2	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.2110	0.000	1	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	117.7100	0.000	1	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2300	0.000	1	118.4814	0.811	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9207	0.576	3	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.1395	0.483	6	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1909	0.512	132	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	119.2625	0.124	2	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.4968	0.280	6	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	118.8270	0.000	1	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	118.0760	0.000	1	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6370	0.538	21	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0566	0.462	26	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	116.6730	0.000	1	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8850	0.455	2	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.4617	0.468	3	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	118.9543	0.295	4	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2122	0.478	9	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0361	0.680	7	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6378	0.415	14	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.0113	0.596	3	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9333	0.527	23	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9004	0.528	7	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.4020	0.000	1	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<3>}	Cl(C[6a]C[6a]2)	119.2450	0.000	1	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.4290	0.451	2	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8052	0.515	13	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1980	0.000	1	118.9715	0.340	289	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	118.6790	0.000	1	118.6790	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.8270	0.000	1	118.8270	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.0086	0.476	11	118.0086	0.226	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.7910	0.225	2	117.7910	0.051	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|F<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	116.9870	0.000	1	116.9870	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1005	0.858	2	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.1017	0.456	12	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	118.4468	0.214	5	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.5715	0.262	4	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7594	0.542	5	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.2965	0.373	6	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2711	0.432	12	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.5880	0.000	1	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7737	0.241	3	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0700	0.107	2	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.7350	0.310	10	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.0340	0.000	1	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	117.5765	0.045	2	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.2568	0.499	66	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.2164	0.259	27	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	117.9980	0.783	4	118.2971	0.225	162	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.5438	0.481	4	117.7120	0.315	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.3850	0.000	1	117.7120	0.315	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]S)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|S<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]S)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.2380	0.000	1	117.2380	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4210	0.000	1	117.4210	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	116.4580	0.047	2	116.6370	0.131	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,2|N<2>}	Cl(C[6a]C[6a]2)	116.7563	0.456	3	116.6370	0.131	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5550	0.507	6	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.9970	0.000	1	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.3705	0.250	2	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5719	0.432	7	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6748	0.450	4	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5080	0.164	2	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7937	0.536	12	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7020	1.340	5	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0850	0.000	1	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5260	0.000	1	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.9246	1.153	8	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9503	0.231	3	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0000	1.188	3	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1115	0.979	2	117.9983	1.020	57	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	115.7805	1.249	2	115.7805	1.561	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.8085	1.535	2	116.6342	1.004	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.9230	0.185	2	116.6342	1.004	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.0083	0.895	4	116.6342	1.004	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.7032	0.377	4	116.6342	1.004	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.0230	1.902	2	116.6342	1.004	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8965	0.265	2	116.6342	1.004	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4700	0.000	1	119.4700	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.7313	0.390	4	117.4135	0.336	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>}	Cl(C[6a]C[6a]2)	116.8570	0.000	1	117.4135	0.336	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){3|C<3>}	Cl(C[6a]C[6a]2)	116.6990	0.000	1	117.4135	0.336	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.0610	0.000	1	118.0610	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8310	0.000	1	118.8310	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Os)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(Cl){1|Os<6>,2|C<3>}	C[6a](C[6a]C[6,6a]Os)(C[6a]C[6a]Cl)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.7590	0.000	1	115.7590	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.7570	0.000	1	118.4183	0.293	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.2490	0.643	2	118.4183	0.293	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7550	0.996	2	119.7550	0.991	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1515	0.026	2	118.7906	0.319	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1015	0.415	2	118.7906	0.319	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0845	0.260	2	118.7906	0.319	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5760	0.630	9	118.7906	0.319	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2291	0.502	15	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.4302	1.010	6	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4672	0.710	53	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2470	0.667	23	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.8234	0.333	5	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.5610	0.000	1	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3610	0.750	3	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5610	0.481	4	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.9820	1.116	3	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3177	0.222	6	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.8230	0.000	1	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6101	0.512	20	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3877	0.174	3	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8533	0.329	3	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7530	0.000	1	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9495	0.066	2	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1850	0.000	1	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.4377	0.542	3	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.1845	0.149	2	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3337	0.504	6	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0982	0.374	13	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.7330	0.141	2	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0004	0.643	19	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4917	0.554	16	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.3402	0.556	8	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0000	0.929	4	119.2687	0.447	223	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	117.7300	0.574	3	118.2122	1.667	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0420	1.263	5	118.2122	1.667	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	116.8610	0.417	2	118.2122	1.667	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.8480	0.000	1	118.8480	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.7500	0.000	1	119.7500	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9482	0.570	12	118.8942	0.336	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(H){1|O<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2460	0.000	1	118.8942	0.336	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){3|C<3>}	Cl(C[6a]C[6a]2)	118.4642	0.549	4	118.4642	0.302	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){3|C<3>}	Cl(C[6a]C[6a]2)	117.5380	0.148	2	117.5380	0.022	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){3|C<3>}	Cl(C[6a]C[6a]2)	117.2765	0.069	2	117.4327	0.076	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){3|C<3>}	Cl(C[6a]C[6a]2)	117.7450	0.000	1	117.4327	0.076	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3260	0.000	1	119.3260	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4075	0.047	2	119.4075	0.002	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1400	0.000	1	117.9963	0.960	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2790	0.000	1	117.9963	0.960	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	117.2830	0.443	2	117.9963	0.960	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.1220	0.000	1	119.1220	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.3920	0.631	6	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9360	0.000	1	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1145	0.636	2	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3208	0.507	80	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	117.6670	0.000	1	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4897	0.376	3	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4443	0.690	3	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3176	0.479	9	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7237	0.386	4	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.3719	0.542	64	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0426	0.777	17	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9312	0.662	29	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	120.0880	0.000	1	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7722	0.527	37	118.6132	0.437	257	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.8090	0.000	1	118.8090	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6580	0.000	1	118.6580	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H){1|I<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.1005	0.228	2	117.1005	0.052	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.3930	0.000	1	118.3930	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0627	0.970	4	118.0627	0.940	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.5300	0.000	1	116.5300	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6180	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.8970	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7170	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2645	2.870	2	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3910	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1804	0.646	33	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2550	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0010	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8327	0.542	3	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4010	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6032	0.124	5	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3268	0.536	5	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6970	0.373	2	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8320	0.000	1	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1175	0.507	2	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4318	0.486	13	118.2327	0.561	73	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.4000	0.000	1	117.1060	1.415	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6180	0.588	2	117.1060	1.415	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7880	0.000	1	117.1060	1.415	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2140	0.040	2	118.2417	0.025	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2695	0.264	2	118.2417	0.025	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4950	0.000	1	117.6498	0.437	14	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9780	0.000	1	117.6498	0.437	14	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2963	0.863	3	117.6498	0.437	14	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6372	0.612	9	117.6498	0.437	14	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	113.9410	1.438	2	113.9410	2.069	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	115.1770	0.717	2	116.9250	1.565	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	117.5888	0.315	4	116.9250	1.565	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	117.7660	0.000	1	116.9250	1.565	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	117.5140	0.000	1	117.5140	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.4450	0.000	1	118.4450	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9810	0.000	1	116.9810	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2137	0.410	3	118.2137	0.168	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	114.9260	0.000	1	117.7587	6.068	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1750	0.315	2	117.7587	6.068	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	115.7830	0.116	2	116.5763	1.895	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1630	0.000	1	116.5763	1.895	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.3130	0.048	2	117.3130	0.002	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.9470	0.000	2	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.0890	0.116	2	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<4>}	Cl(C[6a]C[6a]2)	118.1300	0.000	1	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	116.5663	0.358	11	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<3>}	Cl(C[6a]C[6a]2)	117.2320	0.000	1	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5332	0.381	6	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.1081	0.608	7	117.3540	0.767	30	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.1483	0.279	3	117.1833	0.645	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2095	1.112	4	117.1833	0.645	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7220	0.000	2	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.1610	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.9413	1.954	3	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2894	0.495	5	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4240	0.001	2	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3393	0.734	38	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9653	0.185	3	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.0150	0.692	4	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.0920	1.435	2	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9630	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.3800	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5060	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.4560	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4432	0.636	6	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.7589	0.947	191	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	Cl(C[6a]C[6a]2)	118.1797	0.106	3	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1711	0.440	15	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.3152	0.783	5	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.7870	0.235	4	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0945	1.099	6	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.5710	0.621	4	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0733	1.026	19	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1010	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9615	0.968	339	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7987	0.944	22	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4030	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3775	0.460	10	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	Cl(C[6a]C[6a]2)	116.0250	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4329	0.899	100	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5210	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2478	1.044	230	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.8570	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0640	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3590	0.150	2	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.7310	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4237	0.743	3	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.3972	0.307	5	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5710	0.000	1	117.9475	1.019	1036	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.5924	0.683	5	117.0811	1.133	72	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4964	0.635	11	117.0811	1.133	72	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	120.1830	0.757	2	117.0811	1.133	72	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.2280	0.000	1	117.0811	1.133	72	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.7835	0.949	51	117.0811	1.133	72	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4335	0.622	2	117.0811	1.133	72	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8255	0.599	2	116.3434	1.933	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.5190	0.000	1	116.3434	1.933	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.2735	0.103	2	116.3434	1.933	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Re)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Re<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Re)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.5780	0.000	1	116.5780	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<4>}	Cl(C[6a]C[6a]2)	117.4205	0.148	2	117.1448	0.516	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.8690	1.106	2	117.1448	0.516	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]C[6a]2)	117.5670	0.450	2	117.5670	0.202	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.2020	0.000	1	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|F<1>}	Cl(C[6a]C[6a]2)	116.0390	0.000	1	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4595	0.787	102	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	117.0960	0.000	1	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0961	0.683	10	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2100	0.789	193	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	116.6845	0.226	2	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4120	0.000	1	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2300	0.000	1	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2675	0.289	2	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9604	1.089	51	117.4143	0.787	365	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	117.2000	0.000	1	117.2000	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.1030	0.000	1	116.9830	0.029	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	116.8630	0.000	1	116.9830	0.029	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<2>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5282	0.260	4	119.0966	0.982	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,4|C<4>}	Cl(C[6a]C[6a]2)	117.3700	0.000	1	119.0966	0.982	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8830	0.000	1	118.0016	1.498	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2000	0.000	1	118.0016	1.498	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.0805	0.569	2	118.0016	1.498	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	117.4290	1.796	2	118.0016	1.498	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9090	0.000	1	118.0016	1.498	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9160	0.000	1	117.3292	0.836	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.5705	0.342	2	117.3292	0.836	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.6393	0.031	3	117.3292	0.836	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.1700	0.000	1	117.6510	0.200	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8440	0.000	1	117.6510	0.200	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.1530	0.000	1	117.6510	0.200	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4370	0.000	1	117.6510	0.200	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	116.7405	0.124	2	116.7405	0.015	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.5470	0.000	1	117.5470	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.5515	0.189	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.3620	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.7820	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.4350	0.372	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.9680	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9505	0.015	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.6279	0.842	13	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.8123	0.441	4	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9845	1.694	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2270	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.7350	0.849	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0140	0.629	4	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.4840	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.4580	0.130	3	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.1971	0.510	19	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.4190	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3330	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.5670	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.0113	0.772	3	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.6832	0.530	5	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5913	0.708	26	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.7160	0.594	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2090	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4170	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0910	0.197	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.7393	0.734	10	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.4290	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.5940	0.581	4	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8350	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.1990	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9235	0.190	2	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1720	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.1270	0.000	1	117.3236	0.943	122	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.7970	0.000	1	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.5550	0.000	1	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.9706	0.525	9	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.9370	0.000	1	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.2070	0.191	2	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0950	0.000	1	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.8590	0.044	2	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.5085	0.697	10	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9720	0.000	1	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6807	0.826	6	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1657	0.622	11	117.1381	1.163	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3900	0.000	1	118.3900	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.9590	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.4988	0.621	16	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.1793	0.612	3	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5280	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1970	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3077	0.551	11	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.1910	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.9440	0.765	2	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.2181	0.391	12	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.4623	0.164	6	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.2105	0.172	2	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.9559	0.823	12	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.0610	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3350	0.342	2	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4055	0.129	2	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7235	0.747	15	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.3190	0.329	6	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.2780	0.556	7	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4440	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	114.9140	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.7143	0.597	3	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0730	2.129	7	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3379	0.623	18	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	116.6840	0.000	1	117.5377	1.594	132	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.7470	0.000	1	115.7470	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.3000	0.000	1	116.3000	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6185	0.548	2	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.1010	0.000	1	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|F<1>}	Cl(C[6a]C[6a]2)	118.4140	0.000	1	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.5455	2.090	2	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	115.8470	0.031	2	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.0430	0.000	1	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.7370	0.000	1	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.7390	0.000	1	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5263	0.379	3	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.9945	0.551	4	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5170	0.013	2	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	114.1668	0.411	6	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3762	0.593	6	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	116.6790	0.482	6	116.6837	1.891	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.6800	0.000	1	118.6800	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7820	0.000	1	118.7725	0.083	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5360	0.000	1	118.7725	0.083	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1760	0.000	1	118.7725	0.083	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.5960	0.000	1	118.7725	0.083	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2675	0.238	2	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	Cl(C[6a]C[6a]2)	122.1680	0.000	1	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7460	0.000	1	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5850	0.000	1	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6090	0.337	2	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.1960	0.000	1	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8000	0.000	1	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	118.3300	0.185	2	119.0825	1.183	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2545	0.933	2	119.0976	0.336	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2913	0.553	7	119.0976	0.336	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8570	0.000	1	119.0976	0.336	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0468	0.198	4	119.0976	0.336	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8720	0.000	1	119.0976	0.336	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7000	0.136	2	118.9920	0.276	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2167	0.437	3	118.9920	0.276	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9646	0.703	7	118.9920	0.276	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.5220	0.000	1	118.9920	0.276	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){2|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1827	0.241	3	118.9920	0.276	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8365	0.475	34	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9180	0.000	1	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4810	0.000	1	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.4430	0.000	1	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.8030	0.000	1	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0811	0.535	50	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|Pt<4>,1|C<3>}	Cl(C[6a]C[6a]2)	118.8720	0.000	1	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1427	0.473	102	119.0606	0.249	191	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7800	0.000	1	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7394	0.812	19	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1540	0.419	2	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6960	0.065	2	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8589	0.578	45	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6634	0.829	5	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1450	0.305	3	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6754	0.307	7	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.3320	0.671	57	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0587	1.254	166	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.3728	0.588	5	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5042	0.838	41	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<4>}	Cl(C[6a]C[6a]2)	118.6370	0.000	1	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7689	0.302	7	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	119.4100	0.140	2	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|Sn<4>,1|C<3>}	Cl(C[6a]C[6a]2)	118.5927	0.198	4	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3314	0.543	67	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3084	1.485	11	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2872	0.316	6	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7180	0.000	1	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.2362	0.275	4	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0467	0.691	48	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.4700	0.505	2	119.1507	0.865	506	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0884	0.365	5	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9653	0.393	3	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.4707	0.464	6	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.5545	0.581	32	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0063	0.941	3	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.5135	0.773	31	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	Cl(C[6a]C[6a]2)	118.3080	0.000	1	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7190	0.000	1	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.7040	0.244	7	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7330	0.000	1	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5600	0.000	1	118.6274	0.413	91	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.5930	0.000	1	118.3199	0.179	77	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	118.8010	0.000	1	118.3199	0.179	77	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.4367	0.267	7	118.3199	0.179	77	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.3833	0.490	8	118.3199	0.179	77	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2997	0.420	59	118.3199	0.179	77	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	117.4360	0.000	1	118.3199	0.179	77	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5000	0.000	1	118.5000	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1180	0.337	2	118.9025	0.127	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.8880	0.000	1	118.9025	0.127	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,2|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.4860	0.000	1	118.9025	0.127	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Sn)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Sn)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2127	0.320	4	119.1397	0.125	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Sn)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Sn)(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.0667	0.419	4	119.1397	0.125	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2846	0.334	5	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.5995	0.162	2	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7941	0.988	11	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.2157	0.717	6	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0326	0.321	8	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.8489	1.053	8	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	118.7870	0.000	1	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|Sn<4>,1|C<3>}	Cl(C[6a]C[6a]2)	118.8847	0.255	3	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7313	0.432	3	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.6004	0.186	8	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8625	0.255	2	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.9400	0.560	2	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6942	0.895	8	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	117.4861	0.615	7	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.5016	0.117	8	118.6551	0.554	82	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7957	0.155	4	118.5416	0.115	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2033	0.255	3	118.5416	0.115	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<4>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5400	0.000	1	118.5416	0.115	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8610	0.000	1	118.8610	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[6a]C[6a]2)	117.8750	0.000	1	117.8750	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.4710	0.000	1	120.3300	0.209	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3018	0.505	5	120.3300	0.209	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.9376	0.209	5	121.1063	0.213	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.4100	0.000	1	121.1063	0.213	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	121.0730	0.000	1	121.1063	0.213	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	Cl(C[6a]C[6a]2)	120.1520	0.000	1	121.1063	0.213	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.0816	0.237	5	121.1063	0.213	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	121.3815	0.605	6	121.1063	0.213	19	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8390	1.772	2	119.9560	0.593	20	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	119.9581	0.520	15	119.9560	0.593	20	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	120.6345	0.459	2	119.9560	0.593	20	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8020	0.000	1	119.9560	0.593	20	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.5760	0.000	1	120.5760	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|F<1>}	Cl(C[6a]C[6a]2)	120.2915	0.156	2	120.6633	0.259	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|F<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.7309	0.525	11	120.6633	0.259	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.1400	0.000	1	120.1400	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|P<4>}	Cl(C[6a]C[6a]2)	120.2050	0.000	1	120.2050	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|F<1>,2|N<2>}	Cl(C[6a]C[6a]2)	121.1700	0.264	2	121.1700	0.070	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	116.1835	1.726	4	116.1835	2.981	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	117.9000	0.000	1	117.8608	0.097	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8295	0.694	2	117.8608	0.097	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<2>}	Cl(C[6a]C[6a]2)	117.8687	0.024	3	117.8608	0.097	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	117.4240	0.000	1	117.1880	0.026	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|I<1>,1|S<2>}	Cl(C[6a]C[6a]2)	117.0580	0.000	1	117.1880	0.026	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	117.1350	0.016	2	117.1880	0.026	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	117.4800	0.000	1	117.4800	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9810	0.000	1	118.9810	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	116.8885	0.453	2	116.8885	0.205	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0410	0.000	1	119.1649	0.482	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<4>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8640	0.000	1	119.1649	0.482	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|N<4>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3282	0.447	5	119.1649	0.482	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	117.7730	0.000	1	119.1649	0.482	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	115.6820	0.000	1	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.4910	0.000	1	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9530	0.014	2	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	117.7800	0.000	1	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7607	0.926	3	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.7965	0.593	2	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.5124	0.633	10	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4292	0.704	6	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0927	0.211	4	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2970	0.130	4	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.9037	1.265	3	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6206	0.339	9	118.8976	0.798	46	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.5700	0.000	1	117.5700	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.0710	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2957	0.696	3	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0090	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8535	2.379	2	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8220	0.242	3	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9470	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8060	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1212	1.414	5	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.9444	0.439	31	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0302	0.589	111	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	120.3523	0.479	6	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0904	0.632	5	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0010	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<4>}	Cl(C[6a]C[6a]2)	118.8455	1.262	4	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|N<2>}	Cl(C[6a]C[6a]2)	119.4350	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.8209	1.126	14	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.1875	0.436	2	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3568	0.581	21	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<4>}	Cl(C[6a]C[6a]2)	120.2257	0.283	3	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.1714	1.118	23	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9072	1.235	5	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8669	0.570	71	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7803	0.671	250	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.3090	0.000	1	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7135	0.173	2	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6018	0.517	4	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	114.6355	0.344	2	118.8677	0.610	574	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1300	0.000	1	118.8545	0.152	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5790	0.000	1	118.8545	0.152	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Ir<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	116.0260	0.761	2	116.0260	0.579	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8960	0.799	2	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	116.1620	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	120.7240	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	Cl(C[6a]C[6a]2)	119.7810	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	117.7080	0.555	7	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6787	0.836	20	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	119.7795	0.039	2	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|N<4>}	Cl(C[6a]C[6a]2)	119.4845	0.712	4	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	Cl(C[6a]C[6a]2)	119.5520	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8260	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9990	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	Cl(C[6a]C[6a]2)	119.5397	0.489	3	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1120	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8415	0.749	2	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7290	0.000	1	118.6876	1.013	48	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	116.9580	0.000	1	116.9580	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2775	0.127	2	119.0760	0.061	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.8745	0.062	2	119.0760	0.061	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	120.4630	0.000	1	120.4630	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	117.2140	0.000	1	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.5544	0.988	5	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.4543	0.447	27	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6317	0.591	7	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	117.9950	0.072	2	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	118.1632	0.535	6	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.8479	0.409	7	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	117.3810	1.530	2	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.5910	0.000	1	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1070	0.750	2	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.5360	0.000	1	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.1098	0.798	16	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.4863	0.486	33	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.2905	0.439	2	118.5720	0.464	112	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Cl(C[6a]C[6a]2)	119.4258	0.471	6	119.4258	0.222	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4010	0.000	1	119.4010	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2320	0.000	1	119.2353	0.208	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2370	0.645	2	119.2353	0.208	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6000	0.000	1	119.4535	0.043	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3070	0.000	1	119.4535	0.043	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6508	0.442	4	119.5576	0.190	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1850	0.000	1	119.5576	0.190	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6947	0.235	6	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8268	0.228	5	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.7635	0.523	4	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.8330	0.000	1	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0210	0.809	5	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8690	0.564	6	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1960	0.608	4	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.9500	0.000	1	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6690	0.452	10	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	120.2270	0.000	1	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.9025	0.342	2	119.7325	0.262	45	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8820	0.338	2	119.9818	0.237	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2230	0.786	2	119.9818	0.237	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6990	0.000	1	119.9818	0.237	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5360	0.000	1	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6930	0.000	1	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1710	0.000	1	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6910	0.000	1	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3580	0.535	2	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0896	0.319	5	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8139	0.966	17	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.9166	0.606	26	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7500	0.093	2	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5833	0.783	39	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>}	Cl(C[6a]C[6a]2)	117.7382	1.435	4	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.4980	0.000	1	119.6663	0.753	100	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3670	0.000	1	119.3670	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3920	0.000	1	119.2709	0.380	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.7150	0.000	1	119.2709	0.380	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7074	0.548	8	119.2709	0.380	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.7240	0.150	2	119.2709	0.380	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9438	0.498	6	119.2709	0.380	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5485	0.521	2	119.0536	0.210	12	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0110	0.401	4	119.0536	0.210	12	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0880	0.092	2	119.0536	0.210	12	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6270	0.000	1	119.0536	0.210	12	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5330	0.076	2	119.0536	0.210	12	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6330	0.000	1	119.0536	0.210	12	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4335	0.674	2	119.4335	0.454	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.8040	0.000	1	119.8040	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2071	0.624	40	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4609	0.558	56	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6239	0.404	10	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.8250	0.441	48	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7464	0.282	8	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1590	0.115	2	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|Ni<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.6695	0.094	2	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2749	0.732	174	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.4270	0.000	1	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3429	0.800	7	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5158	0.457	19	119.4033	0.434	367	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Cl(C[6a]C[6a]2)	116.9860	0.000	1	116.8830	2.565	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6a]C[6a]2)	119.0300	0.000	1	116.8830	2.565	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Cl(C[6a]C[6a]2)	115.7580	0.738	2	116.8830	2.565	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.1970	0.000	1	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[6a]2)	118.4741	0.957	56	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6a]C[6a]2)	118.4420	1.355	2	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<2>}	Cl(C[6a]C[6a]2)	118.6275	1.216	2	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6a]C[6a]2)	118.9485	0.774	6	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>}	Cl(C[6a]C[6a]2)	117.9248	0.316	4	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	118.5652	0.244	5	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	118.0029	0.431	25	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<4>}	Cl(C[6a]C[6a]2)	118.6440	1.157	2	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	118.0264	0.491	18	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8422	0.390	5	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	117.5122	0.499	4	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	114.9495	1.104	2	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	117.6050	0.000	1	118.2309	0.799	133	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.4543	0.339	3	117.1904	0.200	28	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	116.2485	0.289	2	117.1904	0.200	28	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	117.1770	0.632	2	117.1904	0.200	28	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|S<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.2436	0.363	21	117.1904	0.200	28	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	118.2030	0.000	1	118.2030	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|S<3>}	Cl(C[6a]C[6a]2)	118.7760	0.146	2	117.6889	0.307	23	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	117.5352	0.464	17	117.6889	0.307	23	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	117.9940	0.000	1	117.6889	0.307	23	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|I<1>,1|S<2>}	Cl(C[6a]C[6a]2)	117.2940	0.000	1	117.6889	0.307	23	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	117.9530	0.371	2	117.6889	0.307	23	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9925	1.688	2	118.4557	2.668	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<4>,2|N<2>}	Cl(C[6a]C[6a]2)	119.0640	0.000	1	118.4557	2.668	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	118.1194	1.892	5	118.4557	2.668	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<4>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.5070	0.000	1	118.5070	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	Cl(C[6a]C[6a]2)	120.7270	0.000	1	120.7270	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.4131	0.339	10	120.4131	0.115	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	121.1085	0.722	2	121.1085	0.521	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.8360	0.752	6	120.8310	0.332	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.7827	0.621	23	120.8310	0.332	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<4>}	Cl(C[6a]C[6a]2)	121.2590	0.000	1	120.8310	0.332	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.9043	0.293	3	120.8310	0.332	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0000	0.000	1	120.8310	0.332	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	120.8975	0.408	4	120.8310	0.332	38	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.0470	0.000	1	119.8890	0.050	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7310	0.000	1	119.8890	0.050	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.6250	0.000	1	120.2800	0.147	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3480	0.000	1	120.2800	0.147	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8670	0.000	1	120.2800	0.147	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2230	0.000	1	120.2230	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.9850	0.000	1	120.9850	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.5750	0.465	2	120.5750	0.216	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|N<2>,2|N<3>}	Cl(C[6a]C[6a]2)	118.1530	0.000	1	118.1530	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<4>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3680	0.000	1	120.4117	0.190	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4970	0.000	1	120.4117	0.190	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<2>,2|N<3>}	Cl(C[6a]C[6a]2)	120.4767	0.348	6	120.4117	0.190	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<3>,2|N<2>}	Cl(C[6a]C[6a]2)	120.6960	0.290	2	120.4117	0.190	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	121.8810	0.000	1	121.0323	0.616	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3330	0.000	1	121.0323	0.616	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	120.8830	0.000	1	121.0323	0.616	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6905	0.852	2	120.7710	0.257	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	120.4580	0.000	1	120.7710	0.257	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8630	0.000	1	120.7710	0.257	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<2>,2|O<2>}	Cl(C[6a]C[6a]2)	120.8665	0.552	4	120.7710	0.257	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6880	0.000	1	118.6880	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	118.7343	0.345	4	118.7343	0.119	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.7600	0.000	1	118.7600	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.2875	1.247	2	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.5090	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9310	0.513	2	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2230	0.598	2	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1262	0.631	4	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	Cl(C[6a]C[6a]2)	119.4800	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7617	0.213	3	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0020	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.1430	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4880	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6690	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2489	0.806	7	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8050	0.991	2	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|S<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3670	0.000	1	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8602	0.426	5	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5703	0.514	3	119.0999	0.475	37	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	117.9610	0.000	1	118.3623	0.369	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.5630	0.704	2	118.3623	0.369	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1690	0.594	3	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3060	0.590	3	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8400	0.000	1	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9165	1.510	2	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2585	1.122	2	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9755	0.510	49	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9040	0.000	1	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0470	0.337	2	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8990	0.000	1	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5745	0.493	2	119.0070	0.318	66	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.7440	0.000	1	118.9279	0.515	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	119.4545	0.691	2	118.9279	0.515	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4620	0.670	2	118.9279	0.515	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.1270	0.000	1	118.9279	0.515	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4270	0.000	1	118.9279	0.515	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2920	0.000	1	118.9279	0.515	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6213	0.297	3	119.2470	0.619	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.1240	0.000	1	119.2470	0.619	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5330	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.8972	0.233	4	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	118.8360	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	Cl(C[6a]C[6a]2)	119.6930	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	119.7430	0.518	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	Cl(C[6a]C[6a]2)	118.5960	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	Cl(C[6a]C[6a]2)	118.7320	0.262	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	119.5490	0.151	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8295	0.528	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.0470	0.392	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.5717	0.343	4	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.2540	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3740	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3140	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.7000	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9375	0.254	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6710	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|N<2>}	Cl(C[6a]C[6a]2)	118.9885	0.896	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	Cl(C[6a]C[6a]2)	120.1020	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8195	0.668	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2780	0.383	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6320	0.068	2	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.7350	0.000	1	119.0717	0.288	39	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1330	0.382	2	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9540	0.423	3	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	119.0960	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a]2)	118.6595	0.250	2	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.3157	0.566	3	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	119.0745	0.097	2	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9216	0.311	14	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4760	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7480	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.9940	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9530	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.5510	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9957	0.625	7	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9930	0.777	4	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.9450	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4920	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3877	0.386	4	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3980	0.672	4	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4323	0.407	3	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8415	0.203	2	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.2780	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5088	0.602	4	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	117.1720	0.000	1	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0097	0.581	3	119.0639	0.371	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7605	0.397	4	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|S<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0160	0.000	1	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8080	0.410	22	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9080	0.000	1	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1410	0.033	2	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4995	0.409	2	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5778	0.474	5	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0720	0.299	4	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0764	0.665	5	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4150	1.443	3	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3590	0.000	1	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Ge<2>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4638	0.560	4	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,1|I<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1767	0.293	4	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.3810	0.000	1	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Pb<2>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3803	0.611	4	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(H){1|Sn<2>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4720	0.842	4	119.1722	0.339	67	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|B<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3608	0.600	129	119.3608	0.360	129	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.1050	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0950	0.603	49	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6110	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.4450	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2960	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8220	0.223	2	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.2720	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1968	0.454	6	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.5500	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2120	0.440	13	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	118.7710	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4346	0.753	57	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.7717	0.912	4	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.0945	0.603	17	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0351	0.523	77	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9093	0.519	4	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4186	0.444	10	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7350	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.7110	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5960	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	119.1975	0.127	2	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.0943	0.918	3	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2022	0.476	14	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2470	0.547	51	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.3394	0.676	18	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5705	0.338	4	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8655	0.472	4	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.9880	0.578	2	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6006	0.948	22	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.7169	0.571	10	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1245	0.300	6	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5741	0.536	33	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0775	0.211	2	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6260	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3760	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7150	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.1733	0.597	168	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	120.2880	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1891	0.669	35	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8635	0.037	2	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5952	0.392	5	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.4522	0.456	9	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4375	0.775	70	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7681	0.583	278	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.8983	0.649	12	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0582	0.667	171	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0838	0.501	19	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9920	0.000	1	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1590	0.274	2	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6189	0.527	16	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.8791	2.422	34	119.5462	0.673	1246	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3100	0.000	1	118.6528	0.230	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7337	0.278	3	118.6528	0.230	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1287	0.122	3	118.6528	0.230	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	118.8010	0.000	1	118.6528	0.230	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4385	0.301	2	118.6528	0.230	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Os<8>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.6060	0.000	1	118.6528	0.230	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3490	0.274	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	117.6980	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0110	0.030	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9525	0.978	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6210	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.4230	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3610	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4180	0.089	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4648	0.338	6	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.1080	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7291	0.720	21	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	119.1430	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6850	0.595	64	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	120.1507	0.877	6	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.5037	0.623	17	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2424	0.541	135	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8822	0.683	6	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2756	0.509	10	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1980	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7550	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7390	0.064	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7157	0.280	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.7760	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6955	0.029	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7187	0.328	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3930	0.538	4	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4687	0.367	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1494	0.395	8	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8358	0.399	15	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3840	0.901	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4410	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.4690	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5879	0.657	9	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	119.3640	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5873	0.649	24	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2243	0.822	24	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	120.3160	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.0744	0.944	5	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3546	0.832	141	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3130	0.572	24	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4182	0.663	25	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.9330	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6290	0.693	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0102	0.629	4	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5473	0.437	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.7880	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3906	0.734	7	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8795	0.614	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6a]C[6a]2)	118.8590	0.513	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3577	0.510	9	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7853	0.622	13	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0960	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5676	0.362	8	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2490	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8035	0.931	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5606	0.528	8	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3593	0.351	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2700	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.2515	0.060	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5674	0.652	5	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.9554	0.415	18	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3625	0.374	15	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0935	1.158	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4640	0.417	5	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2512	0.322	29	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3898	0.658	2648	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3903	0.418	6	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.3813	0.615	209	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4742	0.579	1271	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	119.2781	0.794	55	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4036	0.739	270	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Cl(C[6a]C[6a]2)	119.3847	1.502	14	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6a]C[6a]2)	119.3283	0.708	153	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.3780	0.498	161	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>}	Cl(C[6a]C[6a]2)	119.1930	0.711	30	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.2139	0.716	351	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3545	2.055	157	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Ca<6>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5585	0.500	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2390	0.489	4	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.3233	0.599	3553	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Os<5>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2930	0.157	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Sb<6>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0636	0.674	44	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3797	0.870	32	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8831	0.861	18	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3629	0.809	8	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2606	0.227	24	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1525	0.549	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6849	0.704	153	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.8394	0.454	5	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5582	0.422	35	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7374	0.572	56	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>}	Cl(C[6a]C[6a]2)	120.3825	0.476	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.4932	0.493	17	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1958	1.448	11	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5917	0.556	237	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2060	0.443	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4678	0.688	5	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.6136	0.504	9	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5195	0.635	78	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3750	0.550	296	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.4560	0.577	12	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2398	0.553	209	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6517	0.536	23	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9840	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9947	0.621	7	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5810	0.051	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Os<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.3930	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7300	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8167	0.205	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5637	1.740	4	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	114.2340	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8798	1.067	5	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7387	0.305	3	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Re<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.4440	0.516	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Rh<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5020	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Rh<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1470	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7782	0.685	4	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5080	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6305	0.531	2	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9650	0.000	1	119.3738	0.464	10931	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6853	0.452	3	118.9496	1.001	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.5450	1.181	4	118.9496	1.001	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|I<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5525	1.016	4	118.9496	1.001	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Ir<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.5020	0.279	2	119.2282	0.450	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Ir<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4092	0.434	6	119.2282	0.450	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4564	0.780	7	119.2282	0.450	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6125	0.400	2	119.2282	0.450	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9695	0.435	4	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9277	0.320	3	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1320	0.588	8	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0415	0.669	15	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9840	0.064	2	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.2280	0.000	1	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2770	0.000	1	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9211	0.583	8	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1143	1.088	24	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0110	0.737	21	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	117.6520	0.000	1	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	118.9934	0.448	5	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4112	0.762	117	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7066	0.377	21	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7551	0.596	25	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.3750	0.000	1	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9740	0.443	2	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5600	0.403	4	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7403	0.141	3	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6505	0.466	2	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9502	0.524	12	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	121.1680	0.000	1	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6225	0.453	2	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7293	0.877	134	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8315	0.161	2	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.7090	0.000	1	118.7205	0.642	420	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1230	0.000	1	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	122.2460	0.000	1	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2680	1.258	7	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9695	0.774	2	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6a]C[6a]2)	118.4450	0.096	2	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8488	1.127	9	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8898	0.534	13	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2470	0.000	1	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5250	0.000	1	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7797	0.555	10	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3320	0.000	1	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5770	0.545	3	118.9199	0.820	51	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Os)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Os<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Os)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	117.9110	0.000	1	118.5085	0.714	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Os)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Os<8>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Os)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1060	0.000	1	118.5085	0.714	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0067	0.412	6	119.0067	0.170	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6060	0.000	1	118.5534	0.588	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	117.8520	0.861	3	118.5534	0.588	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0662	0.185	4	118.5534	0.588	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	125.7660	0.000	1	118.7784	7.575	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9170	1.075	5	118.7784	7.575	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8850	0.724	3	118.7784	7.575	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Re)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Re<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Re)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.4060	0.363	2	118.4060	0.132	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Rh<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5610	0.000	1	118.5917	2.825	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Rh<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2490	0.000	1	118.5917	2.825	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Rh)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6850	2.158	4	118.5917	2.825	6	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ru)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ru)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6570	0.000	1	118.7458	0.050	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ru)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ru)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6475	0.200	2	118.7458	0.050	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ru)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ru)(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0310	0.000	1	118.7458	0.050	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.0200	0.000	1	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|C<4>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8010	0.000	1	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.8510	0.000	1	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.8850	0.899	2	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7668	0.414	8	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6937	0.329	3	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4930	0.000	1	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4780	0.177	2	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3640	0.568	5	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7596	0.434	18	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3715	0.476	2	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.2150	0.000	1	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9300	0.661	5	118.9441	0.308	50	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Sn)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Sn<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Sn)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5644	0.930	8	119.5644	0.866	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6060	0.000	1	119.7780	0.205	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6067	0.426	3	119.7780	0.205	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4340	0.000	1	119.7780	0.205	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1125	0.270	4	119.7780	0.205	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6240	0.857	2	119.7780	0.205	11	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1130	0.000	1	119.7332	0.292	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0117	0.566	3	119.7332	0.292	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5150	0.428	7	119.7332	0.292	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8895	1.002	2	119.7332	0.292	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0255	0.520	2	120.0255	0.270	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|B<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3663	0.483	129	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4392	0.130	6	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1196	0.540	40	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6953	0.183	3	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3876	0.908	5	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0850	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8501	0.688	155	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8528	0.600	5	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9387	0.440	35	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9113	0.537	56	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|S<3>}	Cl(C[6a]C[6a]2)	118.1760	0.113	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	118.7215	0.495	17	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2339	1.192	11	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8893	0.532	237	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Sn<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8215	0.580	4	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|I<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4888	0.551	4	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4617	0.434	12	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	118.6790	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1135	0.566	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8489	0.763	146	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6865	0.496	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6390	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5653	0.542	10	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0930	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.9395	1.160	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5540	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8840	0.807	6	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3955	0.750	4	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Ir<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6275	0.647	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Ir<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.6792	0.463	5	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|Sn<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6091	0.612	7	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4110	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0724	0.586	174	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.1300	0.000	1	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6a]C[6a]2)	119.4995	0.231	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8791	0.560	65	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0145	0.801	8	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.7670	0.147	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	119.1395	0.523	2	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.8862	1.084	16	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9856	0.422	52	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0114	0.379	19	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1931	0.212	8	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0807	0.461	64	118.8702	0.391	1326	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3350	0.000	1	118.6205	0.554	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.8863	1.524	3	118.6205	0.554	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8307	0.559	3	118.6205	0.554	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.6130	0.000	1	118.6205	0.554	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8120	0.441	4	118.6205	0.554	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8953	0.242	4	118.6205	0.554	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	Cl(C[6a]C[6a]2)	119.1600	0.000	1	118.5762	0.247	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	117.2120	0.000	1	118.5762	0.247	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8080	0.048	3	118.5762	0.247	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5537	0.428	4	118.5762	0.247	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6033	0.359	3	118.5762	0.247	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5917	0.451	6	118.5762	0.247	18	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3400	0.178	4	118.3804	0.536	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.4497	1.229	4	118.3804	0.536	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3225	0.402	2	118.3804	0.536	10	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.6910	0.407	3	119.6910	0.166	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Cl(C[6a]C[6a]2)	118.2235	0.404	2	118.2235	0.163	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9990	0.489	5	119.9229	0.177	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7520	0.000	1	119.9229	0.177	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(Cl)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(Cl){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7130	0.000	1	119.9229	0.177	7	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.6790	1.161	2	119.0828	0.590	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2970	0.160	2	119.0828	0.590	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1733	0.522	6	119.0828	0.590	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1220	0.489	2	119.0828	0.590	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5220	0.583	4	119.0828	0.590	16	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.3560	0.000	1	118.3560	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1740	0.000	1	119.2260	1.429	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.3580	0.000	1	119.2260	1.429	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4980	0.000	1	119.2260	1.429	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.0170	0.533	2	119.2260	1.429	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.2040	0.172	4	119.2260	1.429	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7645	0.174	4	119.2260	1.429	13	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.1110	0.000	1	119.4330	0.370	68	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4677	0.541	67	119.4330	0.370	68	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.5801	1.077	9	119.7078	0.758	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8683	0.130	3	119.7078	0.758	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8412	0.791	5	119.7078	0.758	17	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7735	0.037	2	119.7735	0.001	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.8950	0.583	6	118.9205	0.310	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1975	0.675	2	118.9205	0.310	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9020	0.000	1	118.9205	0.310	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.8567	0.633	6	118.9205	0.310	15	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6180	0.000	1	118.6180	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.2797	0.471	3	118.9410	0.514	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6715	0.364	2	118.9410	0.514	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4773	0.438	3	118.9410	0.514	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.8550	0.000	1	118.9410	0.514	9	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	118.0340	0.000	1	118.0340	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1950	0.028	2	119.1950	0.001	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.6245	0.527	2	118.6245	0.278	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8432	0.317	4	119.8554	0.068	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.8675	0.241	4	119.8554	0.068	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.5970	0.986	2	118.5970	0.972	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Cl(C[6a]C[6a]2)	116.2660	0.000	1	116.2660	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	Cl(C[6a]C[6a]2)	115.5038	0.584	5	115.5038	0.341	5	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|Sn<4>,1|C<3>}	Cl(C[6a]C[6a]2)	117.4940	0.177	4	117.5053	0.048	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(H){1|Sn<4>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	117.5165	0.285	4	117.5053	0.048	8	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8190	0.024	2	117.8190	0.001	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	121.4100	0.912	4	121.4100	0.832	4	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	117.9680	0.221	2	117.9680	0.049	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|O<2>}	Cl(C[6a]C[6a]2)	119.9730	0.000	2	119.9730	0.000	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){2|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.5310	0.000	1	119.5310	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.2060	0.000	1	120.2070	0.198	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(H){1|Cl<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2075	0.630	2	120.2070	0.198	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	118.3980	0.615	2	118.9580	1.130	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.0780	0.000	1	118.9580	1.130	3	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	117.8790	0.000	1	117.8790	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)2(H){1|N<2>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.1920	0.000	1	118.1920	0.000	1	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.6375	0.455	2	120.6375	0.207	2	119.0797	0.886	20711	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(I){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.1470	0.000	1	121.1470	0.000	1	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(I){1|C<2>,1|C<3>,1|I<1>}	Cl(C[6a]C[6a]2)	120.7460	0.072	2	120.7460	0.005	2	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.9035	0.050	2	120.9035	0.003	2	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)2(I){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.9966	0.324	18	119.9966	0.105	18	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.8155	0.045	2	121.8346	0.002	5	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.8473	0.049	3	121.8346	0.002	5	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1470	0.000	1	120.1470	0.000	1	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(I){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6615	1.198	4	120.7738	0.893	6	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(I){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9985	0.104	2	120.7738	0.893	6	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.2620	0.000	1	120.7320	0.442	2	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	Cl(C[6a]C[6a]2)	121.2020	0.000	1	120.7320	0.442	2	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	121.5290	0.000	1	121.5290	0.000	1	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(Cl)	C[6a](C[6a]C[6a]Cl)2(I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(I){1|C<2>,1|C<3>,1|I<1>}	Cl(C[6a]C[6a]2)	119.3845	0.144	2	119.3845	0.021	2	120.5027	0.648	40	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6a]C[6a]2)	118.2491	0.673	141	118.2491	0.453	141	118.2491	0.453	141	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(S)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(S){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.0805	0.213	2	119.0805	0.045	2	119.0805	0.045	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl){1|O<2>,2|O<1>}	Cl(C[6a]C[6a]2)	123.2420	0.000	1	123.2420	0.000	1	123.2420	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6a]C[6a]2)	119.5050	0.200	4	119.5050	0.040	4	119.8930	0.783	5	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	Cl(C[6a]C[6a]2)	121.4450	0.000	1	121.4450	0.000	1	119.8930	0.783	5	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	116.1690	0.000	1	116.1690	0.000	1	116.4680	0.802	7	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	115.6230	0.000	1	116.4635	1.413	2	116.4680	0.802	7	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.3040	0.000	1	116.4635	1.413	2	116.4680	0.802	7	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	116.9845	0.189	2	116.9845	0.036	2	116.4680	0.802	7	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl){1|H<1>,1|N<2>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	114.9930	0.000	1	114.9930	0.000	1	116.4680	0.802	7	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	117.2180	0.000	1	117.2180	0.000	1	116.4680	0.802	7	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Cl)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	118.8155	0.424	2	118.8155	0.179	2	118.8155	0.179	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|O<2>,4|C<3>}	Cl(C[6a]C[6a]2)	116.6415	0.095	2	116.6415	0.009	2	116.4405	0.071	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl){2|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|Cl<1>,2|C<3>,2|N<2>}	Cl(C[6a]C[6a]2)	116.2395	0.203	2	116.2395	0.041	2	116.4405	0.071	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O){1|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl){1|O<2>,2|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]O[6a]O)(Cl){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	122.4250	0.000	1	122.0657	0.270	4	122.0657	0.270	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]N[6a])	121.9460	0.565	3	122.0657	0.270	4	122.0657	0.270	4	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H)	Cl(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	Cl(C[6a]N[5a,6a]C[6a])	124.1235	0.433	2	124.1235	0.188	2	124.1235	0.188	2	119.2249	1.168	25604	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[5,6a]C[6a])	119.3740	0.000	1	119.3740	0.000	1	121.7137	0.554	20	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.8368	0.515	19	121.8368	0.265	19	121.7137	0.554	20	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(Cl){2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	Cl(C[6a]C[6,6a]C[6a])	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.0920	0.000	1	118.0920	0.000	1	117.2373	4.201	6	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	Cl(C[6a]C[6,6a]C[6a])	117.8370	0.000	1	117.8370	0.000	1	117.2373	4.201	6	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6])	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	114.7495	0.234	2	114.7495	0.055	2	117.2373	4.201	6	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OS)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	118.1970	0.000	1	118.1970	0.000	1	117.2373	4.201	6	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	Cl(C[6a]C[6,6a]C[6a])	119.7990	0.000	1	119.7990	0.000	1	117.2373	4.201	6	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]C)(Cl)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]C)(Cl){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.7155	0.938	4	117.7155	0.879	4	117.7155	0.879	4	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(CN)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(Cl){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	116.3720	1.038	2	116.3720	1.078	2	116.3720	1.078	2	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.4640	0.000	1	118.2915	0.060	2	118.0807	0.897	8	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){3|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.1190	0.000	1	118.2915	0.060	2	118.0807	0.897	8	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.0900	0.000	1	119.0900	0.000	1	118.0807	0.897	8	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OS)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OS){1|H<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.4900	0.000	1	119.4900	0.000	1	118.0807	0.897	8	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	117.3795	1.020	2	117.3795	1.041	2	118.0807	0.897	8	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a,6a]C[6a])	117.3620	0.256	2	117.3620	0.066	2	118.0807	0.897	8	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(O[6a]B[6a])	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(Cl){1|B<3>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(O[6a]B[6a]){1|O<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.1290	0.429	2	119.1290	0.184	2	119.1290	0.184	2	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	117.4680	0.115	2	117.4680	0.013	2	118.4280	1.447	4	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>,3|C<4>}	Cl(C[6a]C[6a]2)	118.8210	0.000	1	118.8210	0.000	1	118.4280	1.447	4	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	Cl(C[6a]C[6a]2)	119.9550	0.000	1	119.9550	0.000	1	118.4280	1.447	4	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[5,6a]S)(Cl){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|Cl<1>,4|C<3>}	Cl(C[6a]C[6a]2)	117.2880	0.395	2	117.2880	0.156	2	116.6690	1.227	3	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]S)(Cl)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]S)(Cl){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|S<2>,4|C<3>}	Cl(C[6a]C[6a]2)	115.4310	0.000	1	115.4310	0.000	1	116.6690	1.227	3	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	123.2545	0.169	2	123.2545	0.029	2	123.2545	0.029	2	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	Cl(C[6a]C[6a]2)	119.8213	0.201	3	119.8213	0.040	3	119.8213	0.040	3	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC){1|C<4>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Cl(C[6a]C[6a]2)	120.2330	0.000	1	120.2330	0.000	1	119.1546	0.246	12	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OFe){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0112	0.348	6	119.0112	0.121	6	119.1546	0.246	12	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OPt)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OPt){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6385	0.111	2	118.6385	0.012	2	119.1546	0.246	12	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(ORe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(ORe){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2540	0.000	1	119.2540	0.000	1	119.1546	0.246	12	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OSn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OSn){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5120	0.044	2	119.5120	0.002	2	119.1546	0.246	12	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.7420	0.302	3	118.7420	0.091	3	119.3271	0.445	7	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1720	0.163	2	120.1720	0.026	2	119.3271	0.445	7	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3600	0.042	2	119.3600	0.002	2	119.3271	0.445	7	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]S)(Cl)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(SC[5a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[5,6a]S)(Cl){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]Cl)(SC[5a]){1|Cl<1>,1|S<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CN){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2080	0.000	1	120.2080	0.000	1	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9460	0.000	1	119.2933	0.172	3	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4670	0.403	2	119.2933	0.172	3	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7620	0.213	4	119.8021	0.054	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8422	0.276	4	119.8021	0.054	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7788	0.275	6	118.7788	0.076	6	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4270	0.198	2	119.0694	0.118	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8355	0.097	4	119.0694	0.118	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1795	0.510	2	119.0694	0.118	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC){1|C<3>,2|I<1>}	Cl(C[6a]C[6a]2)	117.6280	0.256	2	117.6280	0.066	2	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.1880	0.000	1	119.3890	3.385	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	119.8463	1.413	7	119.3890	3.385	8	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7570	0.000	1	119.7570	0.000	1	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0780	0.194	2	118.8635	0.111	4	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6490	0.334	2	118.8635	0.111	4	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8410	0.000	1	119.8410	0.000	1	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CN){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.4302	0.339	9	118.9670	0.475	17	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.8740	0.000	1	118.9670	0.475	17	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	118.3847	0.628	7	118.9670	0.475	17	119.1456	0.792	59	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Cl-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]V)(ClV)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(Cl){1|Cl<1>,1|C<3>,1|V<8>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]V)(ClV){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.7100	0.688	3	120.7100	0.474	3	120.7100	0.474	3	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7550	0.000	1	120.7550	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3330	0.000	1	120.3330	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3074	0.170	8	119.0712	0.312	10	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NC){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.1265	0.609	2	119.0712	0.312	10	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	117.0965	3.550	2	117.0965	12.605	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NC[5]){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6480	0.000	1	119.6480	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1860	0.000	1	119.1860	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3000	0.000	1	118.3000	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.2250	0.000	1	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0000	0.000	1	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	119.4010	0.000	1	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.1750	0.000	1	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6037	0.561	18	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5140	0.000	1	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6430	0.700	5	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1915	0.863	6	119.6337	0.472	34	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5700	0.172	3	119.5700	0.030	3	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9440	0.000	1	118.9440	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6280	0.000	1	120.1693	0.247	20	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2053	0.386	6	120.1693	0.247	20	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7230	0.000	1	120.1693	0.247	20	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.3090	0.942	3	120.1693	0.247	20	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9861	0.402	9	120.1693	0.247	20	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7910	0.000	1	119.8070	0.001	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8230	0.000	1	119.8070	0.001	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NAl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NAl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.8260	0.359	2	117.8260	0.129	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0340	0.865	31	119.1167	0.666	39	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4370	0.511	8	119.1167	0.666	39	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3045	0.385	2	118.9398	0.135	12	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7528	0.369	6	118.9398	0.135	12	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(NC[5]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0380	0.215	4	118.9398	0.135	12	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0348	0.457	4	119.0348	0.209	4	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9967	0.518	10	118.9967	0.269	10	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCr)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NCr){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7870	0.177	2	118.7870	0.031	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(NH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.0550	0.178	2	118.0550	0.032	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1745	1.572	2	119.8487	0.739	27	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	120.9260	0.000	1	119.8487	0.739	27	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7534	0.834	22	119.8487	0.739	27	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0325	0.723	2	119.8487	0.739	27	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NTi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NTi){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4310	0.294	2	118.4310	0.087	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NW)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NW){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9100	0.440	2	118.9100	0.193	2	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,1|H<1>,1|I<1>}	Cl(C[6a]C[6a]2)	118.2020	0.000	1	118.2020	0.000	1	119.3800	0.791	180	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0550	0.000	1	119.0550	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6380	0.000	1	118.6380	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0670	0.000	1	118.0670	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.7840	0.325	5	118.7840	0.106	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.9085	0.264	2	120.9085	0.070	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.7360	0.140	2	119.7360	0.020	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Cl){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.6520	0.000	1	117.6520	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Br<1>,1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.8735	0.039	2	118.8735	0.002	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	116.5083	0.955	3	116.5083	0.911	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.0310	0.000	1	117.9660	1.748	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.9010	0.000	1	117.9660	1.748	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.8590	0.000	1	117.8590	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.3270	0.000	1	117.4273	3.816	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	116.4775	1.490	2	117.4273	3.816	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7290	0.260	3	117.6492	0.531	13	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.5923	0.939	8	117.6492	0.531	13	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7570	0.013	2	117.6492	0.531	13	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	115.8090	0.000	1	117.4197	1.039	11	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.2700	0.000	1	117.4197	1.039	11	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.1448	0.530	6	117.4197	1.039	11	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	117.5240	0.000	1	117.4197	1.039	11	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.0725	0.664	2	117.4197	1.039	11	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.3220	0.163	2	117.3220	0.026	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.0710	1.772	2	117.0710	3.140	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.0350	0.000	1	117.0350	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.0410	0.000	1	118.0410	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	117.3420	0.102	2	117.3420	0.010	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	118.7525	0.276	2	118.7525	0.076	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6]){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3540	0.000	1	119.3540	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	118.1967	0.369	7	118.2105	0.118	8	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.3070	0.000	1	118.2105	0.118	8	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6140	0.000	1	119.1168	0.596	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3105	0.914	4	119.1168	0.596	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8450	0.000	1	119.1168	0.596	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.4130	0.000	1	120.4130	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1225	0.460	4	118.8487	0.188	10	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6662	0.334	6	118.8487	0.188	10	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OAl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OAl){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.0220	0.099	2	119.0220	0.010	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.8550	0.000	1	118.8550	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3300	0.000	1	119.3300	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.9250	0.000	1	118.9250	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OFe){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.4443	0.503	14	118.4443	0.253	14	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.9930	0.000	1	118.1167	0.177	8	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.1580	0.000	1	118.1167	0.177	8	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	117.9638	0.258	6	118.1167	0.177	8	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OMo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OMo){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.4377	0.718	21	118.4377	0.515	21	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.8270	0.000	1	118.9495	0.030	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OP){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.0720	0.000	1	118.9495	0.030	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSb)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSb){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.5768	1.502	12	118.5768	2.257	12	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.1130	0.000	1	118.1130	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSn){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.0055	0.346	2	118.0055	0.120	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.3200	0.000	1	118.3200	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OB[3x6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OB[3x6]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.5340	0.403	2	118.5340	0.162	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9965	0.271	2	119.0674	0.312	10	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.0851	0.623	8	119.0674	0.312	10	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OC[5]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3425	0.045	2	119.3425	0.002	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OC[6a]){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7440	0.338	2	119.7440	0.114	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.4585	0.217	2	118.1358	0.260	44	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OH){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	118.0980	0.000	1	118.1358	0.260	44	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.6604	0.328	11	118.1358	0.260	44	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	117.9233	0.433	30	118.1358	0.260	44	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OTi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OTi){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.4070	0.000	1	118.4070	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6910	0.000	1	118.8235	0.035	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9560	0.000	1	118.8235	0.035	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2580	0.000	1	119.1480	1.229	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6490	0.000	1	119.1480	1.229	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3425	0.351	2	119.1480	1.229	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OAl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OAl){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.5270	0.000	1	118.5270	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OFe){1|C<3>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	117.9960	0.000	1	117.9960	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.1000	0.000	1	119.1000	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OCu)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OCu){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	Cl(C[6a]C[6a]2)	118.5435	1.126	4	118.5435	1.269	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.7760	0.000	1	118.7760	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC){1|H<1>,1|P<4>,3|C<3>}	Cl(C[6a]C[6a]2)	121.1628	1.340	4	121.1628	1.795	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OFe){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.3992	0.613	4	118.3992	0.376	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5655	0.114	2	119.1761	0.165	7	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3810	0.000	1	119.1761	0.165	7	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8127	0.336	3	119.1761	0.165	7	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2830	0.000	1	119.1761	0.165	7	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OAl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OAl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3775	0.807	4	118.0804	0.773	14	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OAl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OAl){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.9615	0.919	10	118.0804	0.773	14	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5570	0.000	1	119.5570	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1635	0.812	10	117.9800	0.662	26	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.8654	0.819	16	117.9800	0.662	26	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCu)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4380	0.290	2	117.9655	1.006	30	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCu)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.9318	1.029	28	117.9655	1.006	30	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OFe){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4434	0.537	5	118.1070	0.267	15	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OFe){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.8588	0.444	8	118.1070	0.267	15	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OFe){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.2590	0.308	2	118.1070	0.267	15	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8720	0.000	1	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.4500	0.000	1	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.0980	0.260	4	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9139	0.460	7	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6987	0.489	65	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8384	0.146	5	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8700	0.000	1	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5468	0.628	31	118.6569	0.274	115	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OMn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OMn){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1770	0.929	2	117.7460	0.395	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OMn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OMn){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.4587	0.222	3	117.7460	0.395	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OMo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OMo){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1568	0.655	4	118.1568	0.429	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(ONi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(ONi){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.7101	0.952	16	117.7101	0.907	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OPt)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OPt){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.2000	0.006	2	117.2000	0.000	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.6900	0.475	2	117.7226	0.397	23	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.6565	0.621	19	117.7226	0.397	23	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3830	0.767	2	117.7226	0.397	23	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZr)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZr){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4940	0.000	1	118.4940	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1695	0.811	2	120.1695	0.658	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7240	0.000	1	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8025	0.193	2	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8555	0.377	2	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0245	0.325	2	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.5950	0.000	1	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4540	0.583	4	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0940	0.000	1	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.2935	1.780	2	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0450	0.000	1	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8783	0.246	3	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3750	0.516	6	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.0206	0.272	10	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.2695	0.104	2	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1864	0.669	42	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4124	0.661	8	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0270	0.000	1	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1450	0.204	8	119.2518	0.392	96	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[4])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[4]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5155	0.319	2	119.5155	0.102	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8417	0.620	3	120.0142	0.303	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2730	0.468	2	120.0142	0.303	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0060	0.000	1	119.3795	0.066	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5040	0.079	3	119.3795	0.066	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3252	0.267	4	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4860	0.579	4	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3920	0.000	1	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1000	0.000	1	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0953	0.580	3	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6040	0.000	1	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0865	0.282	2	119.4250	0.291	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7145	0.385	4	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1983	0.475	6	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9057	0.231	3	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2110	0.000	1	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.7400	0.000	1	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2820	0.028	2	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9510	0.000	1	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4692	0.448	46	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3340	0.000	1	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0360	0.000	1	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8870	0.095	5	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2700	0.417	2	119.3994	0.205	73	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0650	0.000	1	120.0623	0.257	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5680	0.000	1	120.0623	0.257	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5540	0.000	1	120.0623	0.257	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1230	0.000	1	119.1230	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6840	0.000	1	120.3643	0.152	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5475	0.463	2	120.3643	0.152	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1357	0.332	3	120.3643	0.152	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0510	0.000	1	118.9413	0.012	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8865	0.073	2	118.9413	0.012	3	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ni)(OP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|Ni<4>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ni)(OP){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.4290	0.141	2	120.4290	0.020	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1495	0.305	2	119.1495	0.093	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7225	0.530	4	118.9691	0.257	34	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0955	0.442	14	118.9691	0.257	34	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1650	0.375	2	118.9691	0.257	34	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0281	0.493	14	118.9691	0.257	34	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3743	0.485	4	119.3085	0.270	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(OC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1770	0.768	2	119.3085	0.270	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OFe){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.7300	0.000	1	117.7300	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4265	0.345	6	118.4763	0.267	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4608	0.866	4	118.4763	0.267	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8885	0.675	2	118.4763	0.267	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5045	0.193	2	118.4763	0.267	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.2165	0.405	2	118.4763	0.267	16	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(ONi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(ONi){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.3070	0.000	1	117.3070	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OP[4])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OP[4]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6195	1.108	2	120.6195	1.228	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(OS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6338	0.992	4	119.6338	0.984	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OTi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OTi){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3355	0.210	2	118.3942	0.098	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(OTi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(OTi){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4333	0.409	3	118.3942	0.098	5	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9920	0.000	1	118.9920	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	Cl(C[6a]C[6a]2)	119.4790	0.192	2	119.4790	0.037	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	118.1980	0.122	2	118.1980	0.015	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OIr)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OIr){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	114.9980	0.000	1	114.9980	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6a]C[6a]2)	119.4700	0.000	1	119.4700	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OH){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	116.8640	0.000	1	116.8640	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	Cl(C[6a]C[6a]2)	119.7070	0.498	2	119.7070	0.248	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6750	0.000	1	120.6750	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.9939	0.635	8	119.9939	0.403	8	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5294	0.336	20	119.5294	0.113	20	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.7060	0.267	2	119.7060	0.071	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OCo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OCo){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5610	1.147	6	119.5610	1.316	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OFe){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5093	0.455	4	119.5093	0.207	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	118.7450	0.000	1	118.7450	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OIr)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OIr){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.6323	1.690	6	119.6323	2.855	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OMn)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OMn){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0285	0.695	4	119.0285	0.482	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ONi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ONi){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0980	0.674	4	119.0980	0.455	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OOs)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OOs){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.3330	0.269	2	120.3330	0.072	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ORe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ORe){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.4407	1.780	6	120.4407	3.170	6	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8285	0.398	2	119.7485	0.169	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)2(OC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.6685	0.568	2	119.7485	0.169	4	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)2(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0240	0.000	1	119.0240	0.000	1	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	119.3805	0.170	2	119.3805	0.029	2	118.7615	0.947	857	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8990	0.000	1	118.8990	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4080	0.017	2	119.4080	0.000	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(SS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(SS){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.9405	0.631	2	119.9405	0.399	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(SH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(SH){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4930	0.481	2	119.4930	0.231	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(SC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(SC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7640	0.000	1	120.7640	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0880	0.000	1	119.0880	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC[6]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2353	0.268	3	119.2353	0.072	3	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5130	0.000	1	119.5130	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8540	0.245	2	120.8540	0.060	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(SC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6480	0.000	1	119.6480	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCo){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6155	0.603	4	119.6155	0.364	4	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCu)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCu){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0203	0.325	12	118.9673	0.133	13	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCu)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCu){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3310	0.000	1	118.9673	0.133	13	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3737	0.380	6	119.4553	0.167	7	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.9450	0.000	1	119.4553	0.167	7	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SMo)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SMo){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3478	0.702	24	119.3478	0.492	24	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SNi)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SNi){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3635	0.076	4	119.3635	0.006	4	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SPd)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SPd){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7180	0.451	4	119.7180	0.204	4	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8785	0.057	2	120.8785	0.003	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(SC[6])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(SC[6]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8230	0.795	2	120.8230	0.632	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(SFe)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(SFe){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8265	0.368	2	119.8265	0.136	2	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(SC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(SC){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.7340	0.000	1	120.7340	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.2250	0.000	1	120.2250	0.000	1	119.5115	0.479	80	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	122.7785	0.216	2	121.9280	2.193	3	121.9280	2.193	3	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.2270	0.000	1	121.9280	2.193	3	121.9280	2.193	3	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	121.1467	0.992	4	121.1467	0.985	4	121.1467	0.985	4	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]N[6a])	122.6145	0.185	2	122.6145	0.034	2	122.6145	0.034	2	118.9819	1.209	1264	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(Cl)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(Cl){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	Cl(C[6a]C[5,6a]C[6a])	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	Cl(C[6a]C[5,6a]C[6a])	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS)	Cl(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	Cl(C[6a]C[5a,6a]C[6a])	122.7480	0.000	1	122.7480	0.000	1	122.7480	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	119.1910	0.000	1	119.1910	0.000	1	118.7575	0.376	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]O)(COO)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6,6a]C[6a])	118.3240	0.000	1	118.3240	0.000	1	118.7575	0.376	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6a]C[6a])(Cl)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6a]C[6a])(Cl){1|H<1>,1|N<3>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(CC[6a]2)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(CC[6a]2){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.0340	0.540	2	121.0340	0.292	2	120.6257	0.947	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.2470	0.000	1	119.2470	0.000	1	120.6257	0.947	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	121.1880	0.000	1	121.1880	0.000	1	120.6257	0.947	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]N)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	118.4120	0.000	1	118.4120	0.000	1	119.1365	1.050	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]O)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(Cl){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.8610	0.000	1	119.8610	0.000	1	119.1365	1.050	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl){1|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	Cl(C[6a]C[6a,6a]C[6a])	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<4>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2095	0.194	2	119.2095	0.038	2	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	119.8985	0.052	2	119.8985	0.003	2	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.6295	0.135	4	119.1691	0.317	10	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5288	0.414	6	119.1691	0.317	10	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	Cl(C[6a]C[6a]2)	122.2710	0.000	1	122.0118	0.243	5	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.6680	0.000	1	122.0118	0.243	5	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	121.9880	0.000	1	122.0118	0.243	5	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	122.6910	0.000	1	122.0118	0.243	5	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	Cl(C[6a]C[6a]2)	121.4410	0.000	1	122.0118	0.243	5	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.1157	0.739	24	120.1157	0.546	24	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.5760	0.000	1	120.5760	0.000	1	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1585	0.088	2	119.1585	0.008	2	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3080	0.000	1	120.3080	0.000	1	120.0414	1.020	47	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	Cl(C[6a]C[6a]2)	119.6490	0.123	2	119.6490	0.015	2	119.6490	0.015	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]Cl)(Cl)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]Cl)(Cl){1|Cl<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9740	0.000	1	118.9740	0.000	1	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.2620	0.000	1	120.2555	0.434	4	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	119.8550	0.000	1	120.2555	0.434	4	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.4525	1.032	2	120.2555	0.434	4	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9180	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.4750	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.1295	0.954	2	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.3090	0.498	3	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.9160	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.4783	0.549	3	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.8200	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1150	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.5060	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.5660	0.000	1	121.0625	0.778	15	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	118.8530	0.000	1	118.8530	0.000	1	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.8660	0.279	2	119.3236	0.352	14	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4148	0.663	10	119.3236	0.352	14	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|C<3>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	119.3255	0.204	2	119.3236	0.352	14	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.4835	0.359	2	120.8323	0.429	3	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.5300	0.000	1	120.8323	0.429	3	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	120.4460	0.000	1	120.4460	0.000	1	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.2920	0.000	1	122.4713	0.178	3	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.5610	0.554	2	122.4713	0.178	3	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.3845	0.660	2	122.0905	0.519	6	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.9435	0.796	4	122.0905	0.519	6	120.5879	1.634	48	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(COO){1|Zn<5>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:O-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OZn2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(OZn2){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0660	0.000	1	119.0660	0.000	1	119.0660	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|N<3>}	Cl(C[6a]C[6a]2)	119.6104	0.397	21	119.6104	0.158	21	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2{2|H<1>,2|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6096	0.492	13	119.6096	0.242	13	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2{2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	119.0600	0.666	2	119.0600	0.444	2	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.6860	0.000	1	118.6860	0.000	1	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.1675	0.346	2	119.1675	0.120	2	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	Cl(C[6a]C[6a]2)	120.3970	0.008	2	120.3970	0.000	2	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Ir)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Ir){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	123.6855	0.778	6	123.6855	0.605	6	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Rh)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Rh){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	124.7530	0.000	1	124.7530	0.000	1	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.9780	0.000	1	120.5545	4.053	2	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1310	0.000	1	120.5545	4.053	2	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	120.8300	0.000	1	120.8300	0.000	1	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	Cl(C[6a]C[6a]2)	120.4665	0.660	2	120.4665	0.435	2	120.2343	2.450	53	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,4|C<3>}	Cl(C[6a]C[6a]2)	120.9800	0.008	2	120.9800	0.000	2	120.9800	0.000	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CHO){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1850	0.000	1	119.1850	0.000	1	119.6017	0.100	6	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(COO){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4370	0.000	1	119.4370	0.000	1	119.6017	0.100	6	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO){1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7470	0.266	4	119.7470	0.071	4	119.6017	0.100	6	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]N[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]N[6a]2){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	119.7930	0.000	1	119.7930	0.000	1	120.0300	0.042	3	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	120.1600	0.000	1	120.1600	0.000	1	120.0300	0.042	3	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	120.1370	0.000	1	120.1370	0.000	1	120.0300	0.042	3	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl)	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	118.6450	0.000	1	118.6450	0.000	1	120.0435	1.553	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]F)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|F<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.4700	0.000	1	121.4700	0.000	1	120.0435	1.553	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH){1|H<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4510	0.000	1	119.4510	0.000	1	120.0435	1.553	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6080	0.000	1	120.6080	0.000	1	120.0435	1.553	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,3|C<3>}	Cl(C[6a]C[6a]2)	119.9040	0.124	2	119.9040	0.015	2	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5018	0.331	4	121.1151	1.240	19	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7860	0.041	2	121.1151	1.240	19	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.1650	0.000	1	121.1151	1.240	19	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8175	0.380	6	121.1151	1.240	19	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.5200	0.618	2	121.1151	1.240	19	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8743	0.286	4	121.1151	1.240	19	120.9997	1.250	21	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(BOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(BOO){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9340	0.000	1	118.9340	0.000	1	118.4001	0.510	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(BOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(BOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4668	0.261	4	118.4668	0.068	4	118.4001	0.510	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]B)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(BC[6a]2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	118.2857	0.914	7	118.2857	0.835	7	118.4001	0.510	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(B[5]O[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	120.0970	0.000	1	120.0970	0.000	1	120.0970	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CC[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.4090	0.000	1	120.4090	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Cl){5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO){1|Cl<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.3195	1.025	2	118.3195	1.050	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8730	0.000	1	119.8730	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CHN){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0533	1.105	3	120.0533	1.222	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.3060	0.000	1	121.3060	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9100	0.000	1	119.9100	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9080	0.372	3	119.9080	0.138	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6740	0.000	1	119.6740	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6150	0.000	1	120.6150	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9500	0.035	2	119.9500	0.001	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4650	0.000	1	120.1965	0.248	6	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9320	0.000	1	120.1965	0.248	6	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.4455	0.360	4	120.1965	0.248	6	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6940	0.000	1	120.0992	0.249	78	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.1710	0.000	1	120.0992	0.249	78	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1481	0.454	43	120.0992	0.249	78	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.1270	0.105	2	120.0992	0.249	78	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0081	0.571	31	120.0992	0.249	78	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0857	0.468	8	120.2210	0.408	10	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.9240	0.000	1	120.2210	0.408	10	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.6000	0.000	1	120.2210	0.408	10	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.5040	0.000	1	121.1248	0.985	66	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9044	1.297	12	121.1248	0.985	66	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.5280	0.929	2	121.1248	0.985	66	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	120.2180	0.485	8	121.1248	0.985	66	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.3041	0.876	43	121.1248	0.985	66	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[3]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[3]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6260	0.000	1	120.6260	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1790	1.088	2	120.0835	0.418	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9880	0.184	2	120.0835	0.418	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]N){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6290	0.123	2	119.6290	0.015	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9510	0.000	1	120.8300	2.456	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6040	0.000	1	120.8300	2.456	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7640	0.000	1	120.8300	2.456	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.0010	0.000	1	120.8300	2.456	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0740	0.000	1	120.5503	0.206	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2885	0.036	2	120.5503	0.206	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7430	1.155	3	119.7430	1.334	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2651	1.244	8	120.0750	1.199	11	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5680	0.219	3	120.0750	1.199	11	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]C){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7460	0.000	1	119.7460	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6193	0.482	23	119.8407	0.207	48	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0445	0.318	25	119.8407	0.207	48	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8750	0.000	1	120.3209	0.866	8	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2660	0.581	2	120.3209	0.866	8	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7510	0.456	3	120.3209	0.866	8	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4535	1.370	2	120.3209	0.866	8	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1790	1.157	2	120.1790	1.338	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C[3])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C[3]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9020	0.000	1	119.9020	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.4865	0.449	2	120.2189	0.642	23	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.9140	0.000	1	120.2189	0.642	23	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1550	0.838	19	120.2189	0.642	23	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.2020	0.000	1	120.2189	0.642	23	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0512	1.147	6	120.2586	0.352	144	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.9799	0.429	8	120.2586	0.352	144	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2820	0.406	77	120.2586	0.352	144	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7103	0.675	11	120.2586	0.352	144	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3232	0.573	42	120.2586	0.352	144	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	120.5800	0.000	1	120.2217	1.638	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0425	1.756	2	120.2217	1.638	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7015	0.483	4	119.7015	0.233	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9420	0.000	1	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6230	0.000	1	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7600	0.000	1	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	121.1700	0.000	1	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.5840	0.374	4	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7410	1.061	75	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9292	0.936	17	120.7520	1.015	100	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8577	0.673	6	120.8577	0.453	6	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3060	0.000	1	119.3060	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3340	0.000	1	119.3340	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7560	0.000	1	119.9870	0.107	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2180	0.000	1	119.9870	0.107	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.8330	0.000	1	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.4630	0.000	1	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.9281	1.259	50	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.5979	1.078	9	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.3358	1.580	45	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	123.0610	0.000	1	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	121.1830	0.000	1	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.4533	0.818	19	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.3730	0.930	3	121.8167	1.857	130	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6230	0.000	1	119.6230	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2830	0.000	1	119.2830	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9440	0.000	1	119.7100	0.110	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4760	0.000	1	119.7100	0.110	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3935	0.685	2	119.3935	0.469	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2690	0.000	1	120.2690	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8560	0.000	1	119.8560	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.3055	0.332	2	122.3055	0.110	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9434	0.989	20	119.9434	0.978	20	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8920	0.000	1	118.8920	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2550	0.000	1	119.4730	0.043	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5820	0.122	2	119.4730	0.043	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5010	0.376	2	119.5010	0.142	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5]2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9900	0.539	2	118.9900	0.290	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2720	0.906	12	119.2720	0.821	12	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0750	0.096	2	119.0290	0.008	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[5]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9830	0.088	2	119.0290	0.008	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2473	0.571	38	119.2473	0.326	38	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2829	0.399	14	119.2829	0.159	14	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5a]N){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4160	0.304	2	119.4160	0.092	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7412	0.290	4	118.7412	0.084	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1675	0.436	6	120.1675	0.190	6	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9841	1.051	8	119.9891	0.967	9	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0290	0.000	1	119.9891	0.967	9	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]N){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9423	0.436	4	119.9423	0.190	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a]){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1877	0.390	4	120.1877	0.152	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9493	1.590	4	119.9493	2.529	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0497	1.213	56	120.0791	1.451	58	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9015	0.643	2	120.0791	1.451	58	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8800	0.931	2	120.8800	0.866	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1376	0.418	57	119.1343	0.169	59	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0390	0.066	2	119.1343	0.169	59	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2881	0.814	16	119.2881	0.663	16	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CN[6]O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.2590	0.069	2	118.2590	0.005	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6912	0.326	6	118.9876	0.406	18	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(COO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1357	0.712	12	118.9876	0.406	18	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	117.7500	0.000	1	117.7500	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	124.0040	0.000	1	124.0040	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCH){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.9815	0.023	2	119.9815	0.001	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6793	0.778	3	120.6793	0.605	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.5950	0.000	1	121.5950	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.5127	0.339	4	120.5127	0.115	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.2595	0.640	2	121.0590	0.325	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.6580	0.000	1	121.0590	0.325	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	122.3210	0.000	1	122.3210	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	124.1780	0.000	1	122.9313	1.436	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	122.3080	0.735	2	122.9313	1.436	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	119.0960	0.000	1	119.0960	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	121.2045	1.561	2	121.2045	2.435	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN[5]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(CN[5]O){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	118.6670	0.895	2	118.6670	0.801	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|N<2>,2|H<1>}	Cl(C[6a]C[6a]2)	123.9630	0.713	3	123.9630	0.509	3	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|N<2>,2|H<1>}	Cl(C[6a]C[6a]2)	121.4137	0.529	4	121.4137	0.279	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(COO){1|N<2>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4730	0.157	2	120.4730	0.025	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6a]C[6a]2)	122.1240	0.000	1	122.1240	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(COO){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.8157	1.054	43	119.8157	1.112	43	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.4255	0.028	2	120.4255	0.001	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7960	0.000	1	119.6950	0.020	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5940	0.000	1	119.6950	0.020	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.5070	0.000	1	120.5070	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.4267	0.243	6	120.4267	0.059	6	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.9040	0.000	1	120.9040	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6720	0.000	1	119.6720	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(COO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.6190	0.000	1	122.6190	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CNO){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	122.0100	0.577	2	122.0100	0.333	2	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(COO){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	122.0690	1.002	5	122.0690	1.005	5	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(CHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|Pt<6>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(CHN){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	121.0080	0.000	1	121.0080	0.000	1	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.3520	0.231	2	119.8103	0.223	12	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.3850	0.458	2	119.8103	0.223	12	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7812	0.396	8	119.8103	0.223	12	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CClC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CClC){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.4928	0.229	4	119.4928	0.052	4	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(COO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(COO){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.0034	0.605	18	119.0034	0.365	18	120.3026	1.464	1105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	Cl(C[6a]C[6a]2)	122.4195	0.366	2	122.4195	0.134	2	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5080	0.000	1	119.5080	0.000	1	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0880	0.000	1	120.0880	0.000	1	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a]2)	119.8242	0.803	6	119.8860	0.564	7	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	Cl(C[6a]C[6a]2)	120.2570	0.000	1	119.8860	0.564	7	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0380	0.000	1	120.0720	0.156	5	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1537	0.528	3	120.0720	0.156	5	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8610	0.000	1	120.0720	0.156	5	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8630	0.000	1	119.3413	0.297	3	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5805	0.501	2	119.3413	0.297	3	120.1064	0.994	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[5a]C[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]C[5a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4060	0.911	6	119.4060	0.830	6	119.2513	0.461	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9898	0.387	4	119.0967	0.126	6	119.2513	0.461	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3105	0.209	2	119.0967	0.126	6	119.2513	0.461	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2020	0.000	1	119.2020	0.000	1	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|N<3>}	Cl(C[6a]C[6a]2)	119.9905	0.712	4	119.9905	0.507	4	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	120.2923	0.445	3	121.2353	2.729	11	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3400	0.000	1	121.2353	2.729	11	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	121.9101	1.705	7	121.2353	2.729	11	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.2000	0.000	1	121.4543	1.193	3	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	122.0815	0.163	2	121.4543	1.193	3	120.9008	2.197	19	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(Cl){5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	Cl(C[6a]C[6a]2)	119.4480	1.045	2	119.4480	1.092	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.9330	0.000	1	119.9043	0.008	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8900	0.120	2	119.9043	0.008	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.1465	0.265	2	120.1465	0.070	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.4320	0.000	1	120.3140	0.229	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.7230	0.000	1	120.3140	0.229	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.7870	0.000	1	120.3140	0.229	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.3740	0.000	1	120.3740	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0965	0.660	2	120.0965	0.435	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]Cl)2{2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	119.4660	0.760	4	119.4660	0.577	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	119.7338	0.369	5	120.0531	0.427	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.8515	0.483	2	120.0531	0.427	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.4890	0.000	1	119.4890	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.7250	0.645	6	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.7010	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2150	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1700	0.074	2	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.1840	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.5570	0.349	2	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.7470	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2860	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.5160	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.0040	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.8150	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){3|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7400	0.000	1	120.5269	0.402	19	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3170	0.000	1	119.2877	0.056	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.2730	0.332	2	119.2877	0.056	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.5335	0.098	2	119.5335	0.010	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|P<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.3030	0.000	1	119.8600	0.272	6	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|I<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.7380	0.471	3	119.8600	0.272	6	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|O<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.0620	0.000	1	119.8600	0.272	6	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|H<1>,1|S<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]S){1|P<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.5810	0.000	1	119.8600	0.272	6	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.4560	0.000	1	121.2490	0.086	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	121.0420	0.000	1	121.2490	0.086	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){1|Al<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	117.8420	0.731	4	119.1613	0.556	31	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){1|B<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.1475	0.105	2	119.1613	0.556	31	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.4596	0.465	22	119.1613	0.556	31	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){2|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3110	0.000	1	119.1613	0.556	31	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){1|Cl<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.4575	0.780	2	119.1613	0.556	31	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8020	0.000	1	119.8275	0.001	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.8530	0.000	1	119.8275	0.001	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]F){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.3020	0.000	1	119.3020	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	122.0220	0.000	1	121.5560	0.434	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.0900	0.000	1	121.5560	0.434	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.4920	0.000	1	120.4920	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.7980	0.000	1	121.7980	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)2{2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.8745	0.258	2	118.8745	0.067	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(Cl){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6220	0.000	1	120.6220	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2180	0.399	2	120.5708	0.228	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	Cl(C[6a]C[6a]2)	120.9235	0.168	2	120.5708	0.228	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){2|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1220	0.343	4	120.1220	0.117	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	Cl(C[6a]C[6a]2)	119.2980	0.250	2	119.2980	0.063	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Cl){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|F<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.2235	0.203	2	119.0383	0.123	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Cl){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Cl(C[6a]C[6a]2)	118.6680	0.000	1	119.0383	0.123	3	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Cl){1|Cl<1>,6|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	Cl(C[6a]C[6a]2)	118.9900	0.000	1	118.9900	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Cl){1|Cl<1>,6|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	117.9960	0.000	1	117.9960	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.7100	0.000	1	120.7100	0.000	1	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){3|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8070	0.082	2	120.2219	0.302	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	120.0620	0.000	1	120.2219	0.302	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.4410	0.000	1	120.2219	0.302	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.9015	0.343	2	120.2219	0.302	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){3|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6330	0.000	1	120.2219	0.302	7	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	Cl(C[6a]C[6a]2)	119.7420	0.000	1	119.6920	0.005	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)2{2|Cl<1>,2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	119.6420	0.000	1	119.6920	0.005	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){2|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3940	0.000	1	119.3252	0.009	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.2080	0.000	1	119.3252	0.009	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6a]C[6a]2){4|Cl<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3495	0.090	2	119.3252	0.009	4	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|N<2>}	Cl(C[6a]C[6a]2)	119.9009	0.527	8	119.9899	0.314	9	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,3|N<2>}	Cl(C[6a]C[6a]2)	120.7020	0.000	1	119.9899	0.314	9	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.0210	0.214	2	120.0210	0.046	2	119.8394	0.688	138	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5500	1.014	2	119.5500	1.028	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.3105	0.026	4	118.3105	0.001	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	124.8500	0.000	1	124.8500	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.2535	0.514	2	118.2535	0.264	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	122.0920	0.000	1	122.0920	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9410	0.000	1	120.3890	11.985	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	122.8370	0.000	1	120.3890	11.985	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3830	0.000	1	119.3830	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.1756	0.333	5	118.1756	0.111	5	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.6880	0.000	1	119.6880	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7641	0.333	11	119.7584	0.099	13	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.7270	0.284	2	119.7584	0.099	13	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6233	0.223	10	119.6233	0.050	10	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.2250	0.000	1	120.2250	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|F<1>}	Cl(C[6a]C[6a]2)	121.8070	0.000	1	121.8070	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH){1|C<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	117.9390	0.000	1	117.9390	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4185	0.735	2	119.4185	0.540	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1570	0.000	1	120.1570	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC[5]Ni)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NC[5]Ni){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4427	0.923	3	120.4427	0.853	3	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5840	0.000	1	118.5150	0.010	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4460	0.000	1	118.5150	0.010	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3410	0.259	3	120.3410	0.067	3	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.8270	0.000	1	120.6744	0.624	5	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1240	0.379	2	120.6744	0.624	5	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6485	0.646	2	120.6744	0.624	5	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0855	0.482	2	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0740	0.000	1	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.4600	0.000	1	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9170	0.496	11	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7070	0.000	1	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6447	0.223	3	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.3190	0.000	1	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7483	0.419	60	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.0230	0.357	7	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8165	0.400	11	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7331	0.440	7	119.7707	0.181	105	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3695	0.015	2	120.3695	0.000	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2265	0.263	6	119.2343	0.058	7	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2810	0.000	1	119.2343	0.058	7	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4740	0.000	1	119.6530	0.064	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8320	0.000	1	119.6530	0.064	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.7010	0.305	2	119.4532	0.516	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8293	0.512	4	119.4532	0.516	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8057	0.398	3	120.4381	0.324	10	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.7091	0.384	7	120.4381	0.324	10	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCrN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCrN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3557	0.183	6	120.3557	0.033	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2580	0.000	1	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5280	0.000	1	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6086	0.974	7	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9230	0.000	1	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.8800	0.501	2	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	118.4460	0.000	1	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	117.3073	0.793	3	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	118.6410	0.164	2	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6867	0.298	3	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	117.9730	0.123	2	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.8840	0.507	9	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8980	0.000	1	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	118.9830	0.000	1	118.5948	0.515	34	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2343	0.224	10	119.2207	0.041	13	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1360	0.151	2	119.2207	0.041	13	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2540	0.000	1	119.2207	0.041	13	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8993	0.383	10	119.8913	0.089	18	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7623	0.048	3	119.8913	0.089	18	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9526	0.168	5	119.8913	0.089	18	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NIrC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NIrC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8780	0.000	1	120.8780	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NMoN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NMoN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6030	0.511	5	120.6030	0.261	5	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.1710	0.318	4	119.1710	0.101	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	123.9380	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	126.4420	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.6690	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.4570	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	123.6695	1.699	4	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	123.6290	1.155	8	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	122.5775	2.190	2	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.5890	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.8660	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	123.3577	0.997	21	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	124.7160	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	123.2750	0.280	2	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.1770	1.236	2	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	124.2645	2.204	2	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	124.2755	0.815	2	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.7730	0.000	1	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Ir<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	122.9850	0.427	2	123.4864	1.373	53	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NPdC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NPdC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7450	0.000	1	119.7450	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NRuC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NRuC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0300	0.069	2	120.1252	0.023	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NRuC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NRuC){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3400	0.000	1	120.1252	0.023	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NRuC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NRuC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1010	0.000	1	120.1252	0.023	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NZnH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NZnH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.5730	0.000	1	117.5730	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5525	0.387	2	119.5525	0.150	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.4740	0.000	1	117.4740	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(NCN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(NCN){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	125.2480	0.373	2	125.2480	0.139	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2110	0.621	3	120.2110	0.385	3	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NIrH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NIrH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.9750	0.000	1	117.9750	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.7310	0.000	1	119.7310	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NAlH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NAlH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.3705	0.742	4	118.3705	0.550	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3675	0.622	52	119.4112	0.346	72	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5248	0.485	20	119.4112	0.346	72	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1800	0.144	2	119.1800	0.021	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]C){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8145	0.360	2	119.8145	0.130	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.9348	0.845	5	119.1163	0.572	93	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0514	0.706	86	119.1163	0.572	93	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8595	1.607	2	119.1163	0.572	93	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCoC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NCoC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9790	0.052	2	118.9790	0.003	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCuC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NCuC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.6327	0.468	61	118.6327	0.219	61	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCuH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|Cl<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NCuH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.0890	0.916	2	118.0890	0.840	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NFeC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NFeC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.8340	0.273	2	118.8340	0.074	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NFeH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NFeH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.5738	0.313	4	117.3798	0.153	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NFeH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NFeH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	116.9920	0.136	2	117.3798	0.153	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.4447	1.208	6	117.8644	0.549	19	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.3470	0.000	1	117.8644	0.549	19	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.8255	0.005	2	117.8644	0.549	19	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1608	0.227	4	117.8644	0.549	19	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1858	0.166	6	117.8644	0.549	19	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2362	1.454	4	120.0541	1.187	8	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8720	0.753	4	120.0541	1.187	8	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NHS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2368	0.745	4	120.2368	0.555	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NIrC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NIrC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3248	0.830	6	119.3248	0.688	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.9580	0.597	2	119.9580	0.356	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NReC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NReC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0512	0.560	20	119.0512	0.314	20	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NRuC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(NRuC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5800	0.308	2	119.5800	0.095	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NSnC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NSnC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.5335	0.350	4	118.5335	0.122	4	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	121.5955	0.073	2	121.5955	0.005	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NC[6a]Ir)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NC[6a]Ir){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	123.6650	0.000	1	123.6650	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>}	Cl(C[6a]C[6a]2)	118.0030	0.000	1	118.0030	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	119.3930	0.000	1	119.3930	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH){1|N<2>,2|F<1>}	Cl(C[6a]C[6a]2)	119.1010	0.000	1	119.1010	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|F<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8890	0.000	1	120.1043	0.271	7	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|N<2>,2|F<1>}	Cl(C[6a]C[6a]2)	120.1402	0.560	6	120.1043	0.271	7	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|N<3>,1|O<1>}	Cl(C[6a]C[6a]2)	120.0690	0.027	2	120.0690	0.001	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|F<1>,1|N<2>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1960	0.000	1	119.1960	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	121.8836	1.978	16	121.8836	3.913	16	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	121.7950	0.000	1	121.7950	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	120.5040	0.000	1	120.5040	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)2(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	120.2070	0.300	2	120.7529	0.221	8	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)2(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.9545	0.221	2	120.7529	0.221	8	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)2(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	120.9250	0.453	4	120.7529	0.221	8	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO){1|N<2>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	121.7350	0.397	2	121.7350	0.158	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.8620	0.174	2	120.3197	0.160	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	120.5485	0.216	4	120.3197	0.160	6	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NCH){2|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]2)	120.0125	0.269	2	120.0125	0.073	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){2|Cl<1>,1|N<2>}	Cl(C[6a]C[6a]2)	117.8460	1.498	2	117.8460	2.243	2	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)2(NHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(NHH){1|Cl<1>,1|C<3>,1|N<2>}	Cl(C[6a]C[6a]2)	118.0670	0.000	1	118.0670	0.000	1	119.7398	2.365	709	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.6970	0.161	2	120.4461	0.588	7	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.8810	0.000	1	120.4461	0.588	7	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	Cl(C[6a]C[6a]2)	120.0580	0.000	1	120.4461	0.588	7	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	121.4440	0.000	1	120.4461	0.588	7	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	Cl(C[6a]C[6a]2)	121.3590	0.000	1	120.4461	0.588	7	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	Cl(C[6a]C[6a]2)	119.9870	0.000	1	120.4461	0.588	7	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(N[5]C[5]N[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(N[5]C[5]N[5]){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	123.2300	3.190	2	123.2300	10.179	2	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	118.9300	0.209	4	118.9300	0.044	4	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9285	0.373	2	119.1202	0.103	4	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5])	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3120	0.156	2	119.1202	0.103	4	120.1049	2.743	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7200	0.000	1	119.7200	0.000	1	119.4499	0.407	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.2430	0.000	1	119.5695	1.330	4	119.4499	0.407	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.0117	0.359	3	119.5695	1.330	4	119.4499	0.407	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])2(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5a]C[5a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])2(Cl){2|Cl<1>,5|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	119.3876	0.461	12	119.3876	0.212	12	119.4499	0.407	17	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	Cl(C[6a]C[6a]2)	120.0747	0.564	21	120.0467	0.300	23	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9200	0.000	1	120.0467	0.300	23	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	Cl(C[6a]C[6a]2)	119.5850	0.000	1	120.0467	0.300	23	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2930	0.000	1	120.2930	0.000	1	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	Cl(C[6a]C[6a]2)	121.1340	0.000	1	119.8868	0.399	9	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	Cl(C[6a]C[6a]2)	120.1310	0.300	3	119.8868	0.399	9	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.7910	0.000	1	119.8868	0.399	9	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	119.3660	0.000	1	119.8868	0.399	9	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4323	0.437	3	119.8868	0.399	9	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0855	0.317	2	119.0855	0.101	2	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2220	0.000	1	120.2220	0.000	1	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7470	0.816	2	120.7470	0.666	2	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl){1|H<1>,1|N<2>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	122.9430	0.000	1	122.9430	0.000	1	120.0815	0.580	39	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5840	0.081	3	119.7287	0.088	4	119.7287	0.088	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1630	0.000	1	119.7287	0.088	4	119.7287	0.088	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ONi2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(ONi2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	117.3760	0.000	1	117.3760	0.000	1	117.5230	0.043	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OZn2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.6700	0.000	1	117.6700	0.000	1	117.5230	0.043	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(PC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(PC[6a]2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2767	1.459	6	120.2767	2.128	6	120.2997	1.705	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9210	0.000	1	119.9210	0.000	1	120.2997	1.705	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(PC[6a]2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(PC[6a]2){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5580	1.650	2	120.5580	2.724	2	120.2997	1.705	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe2){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.2980	0.436	2	120.2980	0.190	2	120.0036	0.712	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9290	0.359	2	119.9290	0.129	2	120.0036	0.712	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCu2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SCu2){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	117.8940	0.000	1	117.8940	0.000	1	120.0036	0.712	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe2){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.5070	0.000	1	120.2421	0.414	7	120.0036	0.712	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(SFe2){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1980	0.693	6	120.2421	0.414	7	120.0036	0.712	12	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.5510	0.000	1	120.7203	0.641	3	120.5957	0.489	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.8050	1.113	2	120.7203	0.641	3	120.5957	0.489	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2220	0.000	1	120.2220	0.000	1	120.5957	0.489	4	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0425	0.381	2	120.0425	0.145	2	120.0425	0.145	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(P[5]C[5,6a]2)(C[6a]C[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(P[5]C[5,6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7230	0.000	1	119.7230	0.000	1	119.8797	0.899	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	122.2130	0.000	1	122.2130	0.000	1	119.8797	0.899	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.1030	0.000	1	120.1030	0.000	1	119.8797	0.899	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5780	0.325	2	119.4797	0.142	6	119.8797	0.899	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.4305	0.438	4	119.4797	0.142	6	119.8797	0.899	9	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	120.5580	0.000	1	120.5580	0.000	1	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.9120	0.000	1	119.9510	2.159	2	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.9900	0.000	1	119.9510	2.159	2	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.7280	0.124	2	119.7280	0.015	2	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.8610	0.000	1	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	121.3055	0.299	2	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.5940	0.000	1	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1270	0.000	1	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.4650	0.350	4	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	120.1633	0.498	3	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5930	0.000	1	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.0545	0.141	2	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	123.2390	0.000	1	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.0520	0.000	1	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.9323	0.228	3	120.6667	0.765	20	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|I<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8990	0.049	2	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.6798	0.595	34	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.5051	0.533	32	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4840	0.523	2	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.1045	0.180	2	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8425	0.025	2	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.0165	0.026	2	119.6049	0.300	76	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	120.1405	0.443	4	120.1405	0.196	4	119.8455	0.563	105	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4635	0.016	2	119.4635	0.000	2	119.4635	0.000	2	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	118.9297	0.527	4	118.9297	0.278	4	119.6584	0.887	8	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.7635	0.255	2	120.7635	0.065	2	119.6584	0.887	8	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.0105	0.705	2	120.0105	0.497	2	119.6584	0.887	8	120.0638	1.720	2452	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[5,6a]C[6a])	119.7970	0.000	1	119.7970	0.000	1	121.1497	1.569	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(CH3){1|C<3>,2|O<2>}	Cl(C[6a]C[5,6a]C[6a])	121.8260	0.628	2	121.8260	0.394	2	121.1497	1.569	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	Cl(C[6a]C[6,6a]C[6a])	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(CCHH)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(CCHH){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.5860	0.000	1	120.5860	0.000	1	120.7755	0.072	2	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(CCHO)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(CCHO){2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	120.9650	0.000	1	120.9650	0.000	1	120.7755	0.072	2	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3)	Cl(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	Cl(C[6a]C[6a,6a]C[6a])	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	118.5150	0.000	1	118.4990	0.001	2	119.0687	0.974	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	118.4830	0.000	1	118.4990	0.001	2	119.0687	0.974	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2080	0.000	1	120.2080	0.000	1	119.0687	0.974	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	Cl(C[6a]C[6a]2)	117.7053	0.421	3	117.7053	0.177	3	117.7053	0.177	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Cl(C[6a]C[6a]2)	119.3510	0.390	4	119.3510	0.152	4	119.4546	0.168	5	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(CH3){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.8690	0.000	1	119.8690	0.000	1	119.4546	0.168	5	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	119.1985	0.405	2	119.1985	0.164	2	119.1985	0.164	2	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(BC[6a]NO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8185	0.067	2	120.8185	0.005	2	120.8717	0.082	4	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)2(BC[6a]2O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9250	0.479	2	120.9250	0.230	2	120.8717	0.082	4	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.8270	0.000	1	117.6355	0.073	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.4440	0.000	1	117.6355	0.073	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CCHH){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.9700	0.000	1	119.9700	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	118.6540	0.000	1	119.3785	1.050	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.1030	0.000	1	119.3785	1.050	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(CH3){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	120.0725	0.351	2	120.0725	0.124	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.2310	0.248	3	117.2310	0.062	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CCCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CCCH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3550	0.000	1	120.3550	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	118.9820	0.000	1	118.9820	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CCHH){3|C<3>}	Cl(C[6a]C[6a]2)	116.8110	0.000	1	116.8110	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	116.2410	0.687	2	116.2410	0.472	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	118.5360	0.000	1	119.0305	0.489	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5250	0.000	1	119.0305	0.489	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	121.9900	0.000	1	121.9900	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8210	0.000	1	119.8210	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.1790	0.000	2	119.8361	0.672	13	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.1998	0.356	10	119.8361	0.672	13	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<3>}	Cl(C[6a]C[6a]2)	119.5130	0.000	1	119.8361	0.672	13	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHHS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2520	0.000	1	119.2520	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	117.8770	0.000	1	117.8770	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[5]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[5]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8510	0.000	1	120.8510	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[6]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3620	0.000	1	119.3620	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBiHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBiHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2320	0.244	3	119.2320	0.060	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.4130	0.000	1	120.2480	0.054	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0830	0.000	1	120.2480	0.054	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3655	0.365	11	120.3689	0.295	14	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3810	1.118	3	120.3689	0.295	14	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0840	0.000	1	121.7105	0.785	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.3370	0.000	1	121.7105	0.785	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4678	0.331	9	119.5401	0.152	15	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6487	0.477	6	119.5401	0.152	15	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4065	0.265	6	120.3054	0.088	8	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0020	0.143	2	120.3054	0.088	8	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.8125	0.433	2	120.1068	0.268	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0911	0.390	16	120.1068	0.268	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.6180	0.000	1	120.1068	0.268	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0271	0.575	21	120.1068	0.268	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0380	0.000	1	121.0380	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4477	0.245	4	120.3818	0.051	6	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2500	0.156	2	120.3818	0.051	6	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3192	0.655	4	120.3149	0.345	10	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.3120	0.603	6	120.3149	0.345	10	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6519	0.566	14	120.6519	0.321	14	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6160	0.943	2	119.6160	0.890	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.1345	0.545	2	121.1345	0.297	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6495	0.473	6	119.5519	0.192	8	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2590	0.001	2	119.5519	0.192	8	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]2H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0010	0.000	1	121.0010	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0362	0.468	4	121.0362	0.219	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0990	0.494	3	120.0990	0.244	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5110	0.000	1	120.5110	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4560	0.000	1	120.4560	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	120.3220	0.000	1	120.3220	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.2085	0.654	2	122.2085	0.428	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.0030	0.000	1	121.0030	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1555	0.248	2	120.1555	0.062	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.8307	0.893	3	122.8307	0.797	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	122.3820	0.000	1	122.3820	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.8375	0.535	4	119.6716	0.158	11	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5648	0.330	6	119.6716	0.158	11	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6490	0.000	1	119.6716	0.158	11	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6055	0.047	2	119.6055	0.002	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5050	0.000	1	119.4162	0.325	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.9880	0.098	2	119.4162	0.325	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1840	0.000	1	119.4162	0.325	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CClCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CClCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2060	0.000	1	120.2060	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCoNO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCoNO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.6185	1.989	2	121.6185	3.956	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCoOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCoOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.0760	0.000	1	122.0760	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6a]C[6a]2)	121.7863	0.348	3	121.8625	0.203	11	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	121.8910	0.502	8	121.8625	0.203	11	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CFeCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CFeCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9460	0.000	1	119.9460	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.8710	0.107	2	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	119.3400	0.000	1	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2022	0.411	5	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	119.4000	0.000	1	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	118.7150	1.536	2	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4517	0.558	12	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	Cl(C[6a]C[6a]2)	120.1620	0.560	2	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.6257	0.633	4	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.0110	0.368	5	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	125.4320	0.000	2	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.4102	0.471	6	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3260	0.000	1	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Re<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7510	0.000	1	119.6733	1.930	44	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2180	0.000	2	119.5146	0.216	27	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6040	0.000	1	119.5146	0.216	27	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4218	0.442	22	119.5146	0.216	27	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7865	0.425	2	119.5146	0.216	27	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3594	0.719	7	119.4292	0.344	31	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5995	0.900	2	119.4292	0.344	31	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.4359	0.548	22	119.4292	0.344	31	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.3720	0.000	1	121.3720	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8680	0.000	1	119.8680	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	120.2820	0.000	1	120.2820	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0460	0.027	2	120.1020	0.010	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2140	0.000	1	120.1020	0.010	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6013	0.182	3	119.6013	0.033	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7408	0.531	4	119.7408	0.282	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8700	0.000	1	119.9746	0.226	18	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9807	0.489	17	119.9746	0.226	18	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1192	0.276	4	120.1192	0.076	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7220	0.772	14	119.8752	0.608	17	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7590	0.000	1	119.8752	0.608	17	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5060	0.253	2	119.8752	0.608	17	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6990	0.455	2	119.6990	0.207	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNiOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNiOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.5380	0.000	1	122.5380	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2100	0.000	1	120.2100	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5610	0.000	1	120.0155	0.413	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4700	0.000	1	120.0155	0.413	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSiCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSiCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.9120	0.000	1	119.9120	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSnHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSnHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.0863	0.657	14	119.1252	0.445	18	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSnHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSnHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2615	0.789	4	119.1252	0.445	18	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2720	0.622	2	119.4903	0.470	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5232	0.670	34	119.4903	0.470	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3203	0.984	4	119.4903	0.470	40	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CCHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.2868	0.342	5	120.2868	0.117	5	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(CN[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1420	0.000	1	120.1420	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5216	0.757	14	119.5216	0.573	14	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7717	0.360	4	120.7717	0.130	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	Cl(C[6a]C[6a]2)	121.0240	0.000	1	120.6541	0.214	18	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6324	0.467	17	120.6541	0.214	18	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6930	0.567	2	119.6930	0.322	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3353	0.874	8	119.3353	0.764	8	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.9610	0.081	2	120.9610	0.006	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2495	0.482	4	119.6686	0.513	9	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5450	0.000	1	119.6686	0.513	9	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2450	0.873	2	119.6686	0.513	9	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.9920	0.083	2	119.6686	0.513	9	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.2227	0.519	6	119.2227	0.270	6	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CHHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3760	0.615	24	119.3760	0.378	24	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN[5]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CN[5]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8752	0.613	10	119.8752	0.375	10	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN[5a]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CN[5a]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1385	0.595	2	120.1385	0.354	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CN[6]HH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CN[6]HH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5930	1.223	2	119.5930	1.496	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(CSeHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CSeHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1165	0.762	4	119.1165	0.581	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4490	0.000	1	120.4490	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(CH3){1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	118.4930	0.000	1	118.4930	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(CH3){1|C<3>,2|B<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6030	0.236	2	119.6030	0.056	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|C<3>,2|N<3>}	Cl(C[6a]C[6a]2)	121.7010	0.000	1	121.7010	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.3040	0.388	5	119.3040	0.150	5	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8510	0.000	1	120.5310	0.570	9	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	120.4910	0.797	8	120.5310	0.570	9	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	122.0035	0.476	2	121.3590	1.359	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,2|O<2>}	Cl(C[6a]C[6a]2)	120.0700	0.000	1	121.3590	1.359	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	121.6990	0.000	1	121.6990	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	Cl(C[6a]C[6a]2)	120.2780	0.000	1	120.2780	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	120.0310	0.000	1	119.3555	0.913	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.6800	0.000	1	119.3555	0.913	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)2(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]2)	119.9440	0.000	1	119.9440	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6a]C[6a]2)	119.9155	0.165	2	119.9155	0.027	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CF3){1|H<1>,2|N<2>}	Cl(C[6a]C[6a]2)	122.9290	0.000	1	122.9290	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CH3){1|C<4>,1|O<2>,3|C<3>}	Cl(C[6a]C[6a]2)	116.4480	0.214	2	116.4480	0.046	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1637	0.325	3	119.1712	0.083	5	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	119.1825	0.350	2	119.1712	0.083	5	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6a]C[6a]2)	119.8492	0.804	4	119.8492	0.647	4	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.7500	0.293	2	117.7500	0.086	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	117.3513	0.341	3	118.3039	0.516	13	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	Cl(C[6a]C[6a]2)	118.5897	0.519	10	118.3039	0.516	13	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	118.1330	0.430	2	118.1330	0.185	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(Cl)	C[6a](C[6a]C[6a]Cl)2(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,2|C<4>}	Cl(C[6a]C[6a]2)	117.8585	0.421	30	117.8585	0.177	30	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.1140	0.000	1	120.1140	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.0940	0.000	1	119.0940	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.8250	0.706	2	120.8250	0.498	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.2400	0.000	1	119.2400	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1920	0.000	2	120.1920	0.000	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.6503	0.247	3	119.6503	0.061	3	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	119.5280	0.000	1	119.5280	0.000	1	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.3690	0.259	2	119.3690	0.067	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.5085	0.180	2	120.5085	0.033	2	119.7369	1.181	649	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	Cl(C[6a]C[6a]2)	120.7587	0.232	3	120.8808	0.096	4	120.8808	0.096	4	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[3]C[3]2C){1|C<3>,1|C<4>,5|H<1>}	Cl(C[6a]C[6a]2)	121.2470	0.000	1	120.8808	0.096	4	120.8808	0.096	4	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.9130	0.000	1	119.9130	0.000	1	119.9477	0.051	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[4]C[4]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.9650	0.315	2	119.9650	0.099	2	119.9477	0.051	3	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.8870	0.000	1	121.0754	0.466	8	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	Cl(C[6a]C[6a]2)	122.1500	0.000	1	121.0754	0.466	8	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.9095	0.284	2	121.0754	0.466	8	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.8740	0.000	1	121.0754	0.466	8	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.1110	0.000	1	121.0754	0.466	8	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.8810	0.542	2	121.0754	0.466	8	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.4890	0.000	1	121.4890	0.000	1	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2H){1|C<3>,2|H<1>,4|C<4>}	Cl(C[6a]C[6a]2)	120.8380	0.000	1	120.8380	0.000	1	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	122.3558	0.280	9	122.3558	0.078	9	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7640	0.000	1	120.7640	0.000	1	121.6448	0.657	20	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|Cl<1>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.2660	0.000	1	121.3951	0.256	10	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.5206	0.333	9	121.3951	0.256	10	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	Cl(C[6a]C[6a]2)	121.5830	0.000	1	121.4875	0.034	4	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	Cl(C[6a]C[6a]2)	121.4557	0.211	3	121.4875	0.034	4	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.4960	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	Cl(C[6a]C[6a]2)	120.3510	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.6470	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.4010	0.436	3	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	120.1270	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.0042	0.121	4	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.5310	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	120.5180	0.152	4	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	120.9360	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.9820	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	120.4360	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.6140	0.000	2	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.3345	0.076	2	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.8330	0.000	1	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.9323	0.607	3	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.6175	0.078	2	120.5021	0.314	29	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	121.1152	0.328	12	121.1754	0.121	18	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	121.2960	0.387	6	121.1754	0.121	18	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	121.1045	0.377	2	121.1045	0.142	2	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H){3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.2560	0.000	1	119.2560	0.000	1	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.4145	0.887	2	120.5157	0.424	3	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.7180	0.000	1	120.5157	0.424	3	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.7747	0.123	4	120.7747	0.015	4	120.8694	0.390	71	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5650	0.000	1	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	119.2832	0.711	4	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.0105	0.175	2	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	119.5520	0.000	1	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.7110	0.643	3	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.3490	0.307	5	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1547	0.752	3	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2070	0.447	5	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	120.1410	0.000	1	119.8716	0.444	25	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NPdHH)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NPdHH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5860	0.000	1	119.5860	0.000	1	119.8606	0.429	26	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(PC[6a]2F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(PC[6a]2F){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	120.3597	1.035	4	120.3597	1.071	4	120.2188	0.902	5	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]PdC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]PdC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.6550	0.000	1	119.6550	0.000	1	120.2188	0.902	5	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(SNOO){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	121.1940	0.501	4	121.1523	0.594	27	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(SNOO){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6a]C[6a]2)	121.1450	0.817	23	121.1523	0.594	27	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.5269	0.387	7	121.5085	0.131	8	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6a]C[6a]2)	121.3800	0.000	1	121.5085	0.131	8	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(SO3){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	121.6635	0.780	2	121.6635	0.608	2	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SCOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8020	0.274	2	121.8020	0.075	2	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	120.6087	0.325	3	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.0073	0.379	21	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)	122.2000	0.461	4	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6a]C[6a]2)	122.4190	0.206	2	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8887	0.453	22	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.6423	0.500	13	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|H<1>,2|C<3>}	Cl(C[6a]C[6a]2)	121.8474	0.325	5	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SNOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.8191	0.579	15	121.6005	0.383	85	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SN[5]OO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SN[5]OO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.5725	0.503	2	122.5725	0.253	2	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	121.1500	0.520	2	121.7931	0.253	9	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	121.5370	0.000	1	121.7931	0.253	9	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.0288	0.335	5	121.7931	0.253	9	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(SO3){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.1570	0.000	1	121.7931	0.253	9	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(SO3){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]2)	122.1710	0.000	1	122.1710	0.000	1	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)2(SNOO)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(SNOO){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	123.0890	2.124	2	123.0890	4.512	2	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(SO3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(SO3){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6a]C[6a]2)	120.8070	0.000	1	120.8070	0.000	1	121.5582	0.500	139	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Si)(Cl)	C[6a](C[6a]C[6a]Cl)2(SiSiCC)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Si)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(SiSiCC){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	119.8010	0.742	6	119.8010	0.551	6	119.8010	0.551	6	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:Cl-1:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(Cl){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|O<1>,2|C<3>}	Cl(C[6a]C[6a]2)	119.5360	0.000	1	119.5360	0.000	1	119.5360	0.000	1	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]N[6a])	123.1760	0.000	1	123.1760	0.000	1	123.1760	0.000	1	120.1394	1.509	949	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:3:5:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-5:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	C[6a](C[6a]C[6a]Cl)2(PC[6a]2FF)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(PC[6a]2FF){2|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]2)	121.2480	0.134	2	121.2480	0.018	2	121.2480	0.018	2	121.2480	0.018	2	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(CC[6a]2N[5])(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(CC[6a]2N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.5236	0.788	5	122.5236	0.621	5	122.1345	1.405	6	121.8035	1.380	8	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(CC[6a]C[5]H)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(CC[6a]C[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	120.1890	0.000	1	120.1890	0.000	1	122.1345	1.405	6	121.8035	1.380	8	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	3:4:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[5]C[5]2Fe)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.8105	0.022	2	120.8105	0.000	2	120.8105	0.000	2	121.8035	1.380	8	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	B[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,3|O<2>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1325	0.467	2	120.1325	0.218	2	120.1325	0.218	2	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.8820	0.000	1	119.8820	0.000	1	121.1118	1.659	5	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	122.0463	0.118	3	122.0463	0.014	3	121.1118	1.659	5	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.5380	0.000	1	119.5380	0.000	1	121.1118	1.659	5	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	Cl(C[6a]C[6a]2)	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[3]C[3,5]C[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.3220	0.000	1	119.3220	0.000	1	119.8218	0.791	9	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	119.1200	0.083	2	119.1200	0.007	2	119.8218	0.791	9	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[3]C[3,5]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	118.9060	0.000	1	118.9060	0.000	1	119.8218	0.791	9	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.0960	0.000	1	119.0960	0.000	1	119.8218	0.791	9	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[6a]C[3]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|Cl<1>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.0335	0.316	2	121.0335	0.100	2	119.8218	0.791	9	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.3825	0.234	2	120.3825	0.055	2	119.8218	0.791	9	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.3840	0.000	1	120.3840	0.000	1	119.9560	0.366	2	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.5280	0.000	1	119.5280	0.000	1	119.9560	0.366	2	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	122.4200	1.587	2	122.4200	2.518	2	122.4200	2.518	2	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	120.1050	0.000	1	120.1050	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,3|C<4>}	Cl(C[6a]C[6a]2)	119.9580	0.000	1	119.9580	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.4660	0.000	1	119.4660	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.7435	0.230	2	121.7435	0.053	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	119.5910	0.000	1	119.5910	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.0410	0.000	2	120.4665	0.702	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.0610	0.000	1	120.4665	0.702	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.7230	0.000	1	120.4665	0.702	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	121.6510	0.000	1	121.6510	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.2870	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.7173	0.317	3	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.6840	0.361	2	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	121.5530	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.7640	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	121.1390	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.7790	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.3370	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	Cl(C[6a]C[6a]2)	122.0530	0.000	1	120.7860	0.380	12	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.5560	0.000	1	120.3725	0.067	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.1890	0.000	1	120.3725	0.067	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.3000	0.000	1	120.3000	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.6010	0.000	1	120.6376	0.252	8	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.2325	0.086	2	120.6376	0.252	8	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.1990	0.110	2	120.6376	0.252	8	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.5457	0.617	3	120.6376	0.252	8	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.1850	0.004	2	120.1850	0.000	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)	119.7060	0.000	1	119.8360	0.034	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.9660	0.000	1	119.8360	0.034	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.1140	0.000	1	121.1140	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.7650	0.000	1	120.7650	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	122.7330	0.000	1	122.7330	0.000	1	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.4104	0.213	5	119.9198	1.122	9	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	121.7135	0.712	2	119.9198	1.122	9	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.4720	0.000	1	119.9198	1.122	9	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.3270	0.000	1	119.9198	1.122	9	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2{1|N<2>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.2360	0.597	2	120.2360	0.356	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	121.1795	0.261	2	121.1795	0.068	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	122.5053	1.044	3	122.5053	1.090	3	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.5850	0.000	1	120.1867	0.206	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.5940	0.000	1	120.1867	0.206	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.2840	0.267	2	120.1867	0.206	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.5735	1.306	2	120.5735	1.706	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	121.5350	0.184	2	121.5350	0.034	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	Cl(C[6a]C[6a]2)	121.6010	0.281	4	121.6010	0.079	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.2370	0.000	1	120.9220	0.938	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[5]N[5,5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	121.6070	0.000	1	120.9220	0.938	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	119.9570	0.051	2	119.9570	0.003	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5,5a]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6663	0.617	4	120.6663	0.380	4	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.0510	0.016	2	120.0510	0.000	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.3285	0.008	2	119.3285	0.000	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.1505	0.702	2	120.1505	0.493	2	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.4655	0.169	2	120.7245	0.265	6	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	121.0340	0.419	2	120.7245	0.265	6	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	120.6740	0.890	2	120.7245	0.265	6	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	122.0943	0.276	3	122.0943	0.076	3	120.6681	0.816	92	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.7300	0.000	1	119.7300	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.3790	0.000	1	121.3790	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.6940	0.156	3	120.4453	0.153	6	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.0890	0.000	1	120.4453	0.153	6	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.8440	0.000	1	120.4453	0.153	6	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6570	0.000	1	120.4453	0.153	6	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.0190	0.000	1	121.0190	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	Cl(C[6a]C[6a]2)	120.2040	0.000	1	121.1122	0.267	10	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	121.1512	0.533	5	121.1122	0.267	10	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.4650	0.000	1	121.1122	0.267	10	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.2323	0.363	3	121.1122	0.267	10	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.5280	0.000	1	120.3577	0.170	3	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	120.2725	0.544	2	120.3577	0.170	3	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Cl(C[6a]C[6a]2)	120.6980	0.000	1	120.6980	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.0510	0.000	1	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.8350	0.030	2	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.3850	0.000	1	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.3520	0.000	1	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.5130	0.000	1	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.0980	0.000	1	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.4670	0.000	1	120.4420	0.460	8	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2{1|C<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.3530	0.209	2	120.3530	0.044	2	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.8770	0.000	1	120.8770	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.7745	0.124	2	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.9050	0.040	2	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	121.1330	0.000	1	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.9580	0.000	1	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	Cl(C[6a]C[6a]2)	120.5920	0.171	2	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.6038	0.423	4	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	119.6730	0.000	1	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	Cl(C[6a]C[6a]2)	120.2430	0.000	1	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.9930	0.000	1	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	119.9592	0.597	5	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6a]C[6a]2)	121.1010	0.000	1	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.9927	0.729	3	120.3680	0.379	24	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	120.8840	0.000	1	120.2390	0.915	5	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	119.4330	0.000	1	120.2390	0.915	5	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<4>,3|H<1>}	Cl(C[6a]C[6a]2)	119.9770	0.000	1	120.2390	0.915	5	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	Cl(C[6a]C[6a]2)	121.5540	0.000	1	120.2390	0.915	5	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Cl(C[6a]C[6a]2)	119.3470	0.000	1	120.2390	0.915	5	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.2710	0.000	1	120.7665	0.491	2	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	Cl(C[6a]C[6a]2)	121.2620	0.000	1	120.7665	0.491	2	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	Cl(C[6a]C[6a]2)	120.8940	0.000	1	120.8940	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	119.7550	0.000	1	119.7550	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2{1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.5960	0.724	2	120.5960	0.524	2	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715
643	643	790	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6a]C[6a]2)	120.0660	0.000	1	120.0660	0.000	1	120.5183	0.401	70	120.5746	0.759	183	119.3263	1.330	31302	119.3380	1.374	31715